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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 6JJ3 | ic50 = 100 nM | BS6 | C23 H25 N5 O4 S | CN1CCN(CC1.... |
2 | 6P05 | ic50 = 5.9 nM | YF2 | C30 H28 N6 O3 S | CCS(=O)(=O.... |
3 | 4IOO | - | BAE | C6 H13 N O | CC(C)(C)C(.... |
4 | 5I88 | Kd = 250 nM | 69G | C20 H21 N3 O2 | C/C=C/CN1C.... |
5 | 5DX4 | Kd = 0.137 uM | E0C | C20 H17 Br N2 O4 S | CCN1c2ccc(.... |
6 | 6JJB | ic50 = 49.5 nM | BT0 | C19 H16 N2 O4 S | CN1c2ccc(c.... |
7 | 3JVK | Kd = 118 uM | GLY GLY ALY ALA PRO ARG LYS GLN | n/a | n/a |
8 | 4HBX | ic50 = 1.9 uM | 14X | C13 H17 N3 O3 S | CN1Cc2cc(c.... |
9 | 4NUE | Ki = 0.15 uM | NUE | C19 H19 N5 O3 S | Cc1cc(c(c(.... |
10 | 6SB8 | Kd = 0.07 uM | L45 | C21 H27 N3 O5 S | CCN(CC)S(=.... |
11 | 5Y94 | Kd = 164 nM | 8QC | C16 H16 Br N3 O4 S | Cc1c2cc(c(.... |
12 | 6DMJ | - | 53W | C27 H32 N4 O3 | Cc1c(c(on1.... |
13 | 4HXR | ic50 = 4.1 uM | 1A4 | C13 H10 N2 O3 S3 | c1cc(cc(c1.... |
14 | 6DML | - | 9BM | C25 H26 N4 O4 | Cc1c(c(on1.... |
15 | 5TI5 | ic50 = 41 uM | 7CN | C16 H13 Br N2 O3 S | c1cc(cc(c1.... |
16 | 6VUJ | ic50 = 35.2 uM | RLY | C23 H30 N2 O5 S | CCN(CC)S(=.... |
17 | 6X7B | ic50 = 27 nM | ZVP | C26 H24 N4 O5 S | c1cc(cnc1).... |
18 | 4O7C | ic50 = 10 uM | 2RK | C22 H23 N5 O | C1CNCCC1C2.... |
19 | 4IOQ | - | BAQ | C4 H7 N O | C1CC(=O)NC.... |
20 | 4HXK | - | 1AJ | C11 H11 N3 O S | c1csc2c1CN.... |
21 | 6S6K | Kd = 0.18 uM | KXK | C24 H31 N3 O5 S | Cc1c2c(c([.... |
22 | 2YEL | ic50 = 15.5 nM | WSH | C25 H21 N5 O2 | Cc1nnc2n1-.... |
23 | 6RWJ | Kd = 6.41 uM | KLK | C12 H16 N2 O2 | Cc1c2c(c([.... |
24 | 6SA2 | Kd = 0.08 uM | L25 | C22 H27 N3 O6 S | Cc1c2c(c([.... |
25 | 6XV7 | - | O2Q | C14 H13 F2 N5 | Cc1nnc2n1n.... |
26 | 4BW4 | ic50 = 631 nM | 9B6 | C22 H16 F3 N5 O4 | Cc1c(c(on1.... |
27 | 4O72 | ic50 = 1 uM | 2R4 | C25 H19 N O3 S | c1ccc2c(c1.... |
28 | 5F63 | Kd = 12 nM | 5W2 | C28 H35 Cl F N7 O3 S | Cc1cnc(nc1.... |
29 | 5HLS | ic50 = 0.039 uM | 62G | C20 H16 Cl N3 O2 | Cc1c-2c(on.... |
30 | 4HBW | ic50 = 4.8 uM | 14Z | C11 H15 N3 O3 S | CCNS(=O)(=.... |
31 | 4OGI | Kd = 37 nM | R78 | C28 H39 N7 O3 | CC[C@@H]1C.... |
32 | 6WW8 | - | YR0 | C31 H32 N6 O4 S | CN(C)C(=O).... |
33 | 5TI7 | ic50 = 11 uM | 7CQ | C17 H19 Br N2 O4 S | COc1ccc(cc.... |
34 | 4J0S | ic50 = 0.382 uM | 1H3 | C18 H17 N O3 | Cc1c(c(on1.... |
35 | 6Q3Y | Kd = 54 nM | HG5 | C30 H38 N6 O2 | CC[C@@H]1C.... |
36 | 6SAJ | Kd = 0.05 uM | L2Z | C23 H27 N3 O6 S | Cc1c2c(c([.... |
37 | 4F3I | Kd = 36.1 nM | 0S6 | C20 H19 Cl N4 O2 S | Cc1c(sc-2c.... |
38 | 4QZS | Kd = 89 nM | JQ1 | C23 H26 Cl N4 O2 S | Cc1c(sc-2c.... |
39 | 6AFR | ic50 = 70 nM | 9E3 | C13 H10 F N3 O | c1cc2c(ccc.... |
40 | 4WIV | Kd = 550 nM | 3P2 | C21 H23 N5 O | Cc1c(c(on1.... |
41 | 6VUF | ic50 = 147 uM | RLV | C14 H20 N2 O3 S | CCCNS(=O)(.... |
42 | 3P5O | Kd = 55.2 nM | EAM | C22 H22 Cl N5 O2 | CCNC(=O)C[.... |
43 | 4UIX | ic50 = 0.00000001 M | TVU | C22 H24 N2 O6 S2 | CN1C=C(c2c.... |
44 | 4HXS | ic50 = 4.1 uM | 1A3 | C16 H14 N2 O3 S2 | c1ccc(cc1).... |
45 | 5HM0 | ic50 = 0.44 uM | 62V | C18 H13 Cl N2 O | Cc1c-2c(on.... |
46 | 5DLX | Kd = 2 uM | 5D2 | C25 H33 Cl N8 O | Cc1nnc2n1n.... |
47 | 5TI2 | ic50 = 24 uM | 7CJ | C16 H15 F N2 O3 S | c1cc(cc(c1.... |
48 | 5D3H | Kd = 7.9 uM | 57G | C20 H27 N3 O6 S | CCc1c(c([n.... |
49 | 6E4A | Kd = 44 nM | HRY | C29 H34 Cl N7 O | CN1C=C(C=C.... |
50 | 4MEP | ic50 = 4.7 uM | 24Y | C19 H14 Cl N5 O | Cc1cccnc1n.... |
51 | 4YH4 | ic50 = 26 uM | Y81 | C20 H15 N3 O2 | c1ccc(cc1).... |
52 | 5D3N | Kd = 9.2 uM | L40 | C18 H23 N3 O4 S | CCc1c(c([n.... |
53 | 6C7R | Kd = 2.2 nM | EO4 | C24 H25 N7 O2 | Cc1c(c(on1.... |
54 | 6WGX | ic50 = 0.15 uM | U0D | C31 H36 F3 N7 | Cc1cc(cc(c.... |
55 | 6HOV | - | FER | C10 H10 O4 | COc1cc(ccc.... |
56 | 5D26 | Kd = 0.81 uM | L28 | C19 H26 N4 O5 S | CCc1c(c([n.... |
57 | 3MUK | Kd = 380 uM | ALA THR PRK ALA ALA ARG LYS SER | n/a | n/a |
58 | 4J3I | Kd = 8.93 uM | 1K0 | C20 H22 N2 O5 | Cc1cc(cc(c.... |
59 | 6X7D | ic50 = 388 nM | UT4 | C19 H18 N2 O4 S | c1cc2c(cc1.... |
60 | 4QB3 | Kd = 3.4 uM | 30M | C17 H21 N3 O2 | CC(=O)NCCC.... |
61 | 4LZS | Kd = 16 uM | L46 | C11 H16 N2 O2 | CCc1c(c([n.... |
62 | 6HDQ | ic50 = 5.01 uM | FZE | C30 H37 F2 N5 O | Cc1cc(cnc1.... |
63 | 4O71 | ic50 = 18 uM | CPB | C21 H20 Cl N O5 | C[N@]1CC[C.... |
64 | 4CFL | Kd = 1.33 uM | 8DQ | C19 H18 N2 O2 | c1ccc(cc1).... |
65 | 4C67 | - | L5S | C15 H12 N4 S | Cc1nnc2n1-.... |
66 | 6V1K | - | 5SW | C20 H23 N3 O3 | CN1C=C(c2c.... |
67 | 4QR3 | ic50 = 1.4 uM | BNJ | C14 H16 N2 O3 S2 | c1cc(cc(c1.... |
68 | 4ZC9 | - | 4MW | C38 H37 Cl N8 O7 S | Cc1c(sc-2c.... |
69 | 4MEO | - | 25V | C18 H16 N2 O2 | Cc1cc(c2cc.... |
70 | 6UVM | Kd = 510 uM | QJA | C11 H13 N O S2 | CC(=O)N1CC.... |
71 | 4LRG | ic50 = 0.026 uM | 1XB | C20 H18 Cl N3 O2 S | Cc1c(sc-2c.... |
72 | 6CKS | ic50 = 0.015 uM | F5Y | C23 H23 N3 O4 S | CCS(=O)(=O.... |
73 | 6DJC | Ki = 232.8 nM | CF6 | C48 H54 Cl2 N10 O2 S2 | Cc1c(sc-2c.... |
74 | 5TI3 | ic50 = 44 uM | 7CG | C16 H14 Br2 N2 O3 S | c1cc(cc(c1.... |
75 | 4HXP | - | 1A5 | C10 H10 N2 O3 | c1cc(ccc1C.... |
76 | 6PSB | ic50 = 24 uM | Y18 | C17 H19 N3 O2 | CN1C[C@H](.... |
77 | 6CD4 | ic50 = 5.14 uM | EX1 | C33 H42 N8 O3 | CC(C)N1c2c.... |
78 | 4O7E | ic50 = 5.7 uM | 2RN | C20 H15 N3 O | c1ccc(cc1).... |
79 | 4O74 | ic50 = 0.025 uM | R78 | C28 H39 N7 O3 | CC[C@@H]1C.... |
80 | 4BW2 | ic50 = 6.31 uM | UTH | C24 H24 N4 O3 | Cc1c(c(on1.... |
81 | 5CS8 | ic50 = 2.29 uM | EB8 | C21 H18 N2 O5 S | CCN1c2ccc(.... |
82 | 3U5J | Kd = 2.46 uM | 08H | C17 H13 Cl N4 | Cc1nnc2n1-.... |
83 | 5EIS | Kd = 1.8 uM | 5OU | C14 H13 Cl N4 O2 | CCn1cnc2c1.... |
84 | 6FO5 | Kd = 0.19 uM | DZH | C25 H26 N6 O5 S | CCn1cnc2c1.... |
85 | 6V1L | Kd = 418 nM | 5U6 | C20 H23 N3 O3 | CN1C=C(c2c.... |
86 | 3U5L | Kd = 0.64 uM | 08K | C17 H14 Cl N5 | Cc1nnc2n1-.... |
87 | 4QR4 | ic50 = 0.25 uM | BNK | C14 H15 Cl N2 O3 S2 | c1cc(c(cc1.... |
88 | 4O7A | ic50 = 19 uM | 2RF | C16 H10 Cl2 N2 O3 | c1cc(cc(c1.... |
89 | 5F61 | Kd = 35 nM | 5W0 | C26 H34 F N7 O2 S | Cc1cnc(nc1.... |
90 | 4HXN | - | 1A7 | C9 H6 F N O S | c1ccc(c(c1.... |
91 | 6DL2 | Ki = 33 nM | GUJ | C17 H17 N3 O S | Cc1c(c2c(s.... |
92 | 5Z5U | - | 96U | C12 H10 N4 O2 | c1cn(cn1)c.... |
93 | 5TI4 | ic50 = 26 uM | 7CM | C16 H14 Cl F N2 O3 S | c1cc(cc(c1.... |
94 | 5Y8C | ic50 = 0.16 uM | 8P9 | C16 H15 Cl N2 O5 S | Cc1c2cc(c(.... |
95 | 4NUD | Ki < 0.0845 uM | NUD | C18 H17 N5 O3 S | Cc1cc(c(cc.... |
96 | 4O7B | ic50 = 20 uM | 2RJ | C26 H26 F N5 O | Cc1cccc(c1.... |
97 | 5CPE | ic50 = 0.45 uM | EB2 | C20 H24 N2 O3 S | CCN1c2ccc(.... |
98 | 5MLI | ic50 = 130 uM | 82I | C6 H8 Cl N3 O | CNC1=C(C(=.... |
99 | 5DW2 | Kd = 1.44 uM | 5GD | C24 H29 N3 O4 | Cc1cc(cc(c.... |
100 | 5D3P | Kd = 7.4 uM | 57E | C19 H21 N3 O4 S | CCc1c(c([n.... |
101 | 4PCE | ic50 = 7 uM | 2N0 | C17 H19 N O | CCc1cc2c(n.... |
102 | 5D25 | Kd = 0.46 uM | 56M | C19 H25 N3 O5 S | CCN(CC)S(=.... |
103 | 5DLZ | Kd = 1.8 uM | 5D1 | C28 H35 N3 O3 | Cc1cccc(c1.... |
104 | 5Y8W | ic50 = 0.23 uM | 8PU | C15 H13 Br N2 O5 S | Cc1c2cc(c(.... |
105 | 4J0R | ic50 = 0.386 uM | 1H2 | C18 H17 N O3 | Cc1c(c(on1.... |
106 | 6MH7 | ic50 = 1.3 uM | JQY | C26 H27 F N6 | Cc1ccc(cc1.... |
107 | 5F60 | Kd = 43 nM | 5VZ | C26 H34 Cl N7 O2 S | Cc1cnc(nc1.... |
108 | 5Z5V | ic50 = 287 nM | 96X | C15 H14 N4 O2 | CC(=O)Nc1c.... |
109 | 4HXO | - | 1A6 | C11 H10 N4 O S | Cc1cc(on1).... |
110 | 5CRM | ic50 = 1.09 uM | EB5 | C15 H16 N2 O3 S | CCNS(=O)(=.... |
111 | 6YQN | ic50 = 0.72 uM | P8T | C32 H28 Cl N7 O2 S | Cc1c(sc-2c.... |
112 | 5CQT | Kd = 0.124 uM | EB3 | C19 H22 N2 O3 S | CCN1c2ccc(.... |
113 | 5KHM | Ki = 5.012 nM | XNH | C25 H33 N7 O3 | C[C@@H]1C(.... |
114 | 6XV3 | - | O2B | C28 H33 N9 O | Cc1nnc2n1c.... |
115 | 4Z1S | ic50 = 0.79 uM | 559 | C23 H21 Cl N6 | Cc1nnc2n1-.... |
116 | 4MR3 | - | 1K0 | C20 H22 N2 O5 | Cc1cc(cc(c.... |
117 | 5MKZ | ic50 = 20 uM | RNK | C11 H12 Cl N3 O S | Cc1ccsc1CN.... |
118 | 5ULA | Ki = 77 nM | 5MJ | C20 H19 Cl N2 O3 | CC1=C(CCC1.... |
119 | 4O78 | ic50 = 4.6 uM | SAV | C21 H22 N6 O3 | Cc1c2ccc(c.... |
120 | 6XVC | - | O32 | C22 H21 N5 O2 | Cc1nnc2n1c.... |
121 | 4OGJ | Kd = 164 nM | 2TA | C27 H36 N6 O3 S | Cc1cnc(nc1.... |
122 | 5A85 | ic50 = 5.01 uM | 78J | C21 H30 N4 O2 | CC1=Cc2ccn.... |
123 | 5TI6 | ic50 = 21 uM | 7CO | C16 H14 F2 N2 O3 S | c1cc(cc(c1.... |
124 | 6MAU | - | JBS | C30 H32 N6 O3 | Cc1c(c(on1.... |
125 | 6S4B | Kd = 0.14 uM | KUH | C22 H29 N3 O5 S | CCN(CC)S(=.... |
126 | 6Q3Z | Kd = 44 nM | HG8 | C29 H38 N6 O2 S | CC[C@@H]1C.... |
127 | 6V0U | Kd = 392 nM | BMF | C17 H20 N6 O4 S | CCOC(=O)Nc.... |
128 | 6VUC | ic50 = 144 uM | RLS | C16 H22 N2 O3 S | CN1C[C@H](.... |
129 | 4MR4 | - | 1K0 | C20 H22 N2 O5 | Cc1cc(cc(c.... |
130 | 4QR5 | ic50 = 0.06 uM | BNM | C18 H21 N3 O4 S2 | c1c(cc(cc1.... |
131 | 4MEQ | - | 25O | C12 H11 N5 | Cc1cc(n2c(.... |
132 | 4O77 | ic50 = 2.5 uM | 2RE | C20 H14 F N3 O | c1cc(ccc1c.... |
133 | 6XUZ | - | O1W | C24 H33 N9 O2 | Cc1nnc2n1c.... |
134 | 5EI4 | ic50 = 26.4 uM | 5NV | C17 H17 Cl N8 O2 S | CCn1c(nc2c.... |
135 | 5CY9 | Kd = 0.218 uM | E0A | C17 H20 N2 O3 S | CCCCS(=O)(.... |
136 | 6MH1 | ic50 = 1.7 uM | JQP | C26 H27 F N6 | Cc1cc(cc(c.... |
137 | 5CRZ | ic50 = 0.45 uM | EB7 | C19 H14 Cl F N2 O3 S | CCN1c2ccc(.... |
138 | 5Y93 | ic50 = 2.27 uM | 8Q9 | C23 H27 Br N4 O7 S | Cc1c2cc(c(.... |
139 | 5AD2 | Kd = 63 nM | ETU | C24 H30 Cl N7 O2 | C[C@@H]1C(.... |
140 | 4E96 | ic50 = 0.22 uM | 0NS | C16 H17 N3 O4 S | CN1Cc2cc(c.... |
141 | 5D0C | Kd = 2.34 uM | E0B | C21 H25 N3 O4 S | CCN1c2ccc(.... |
142 | 4O7F | ic50 = 13 uM | 2RQ | C25 H24 F N5 O2 | COc1ccccc1.... |
143 | 5CP5 | Kd = 1.234 uM | EB0 | C19 H15 F N2 O3 S | CCN1c2ccc(.... |
144 | 4CFK | Kd = 1.83 uM | LY2 | C19 H17 N O3 | c1ccc(cc1).... |
145 | 5D3R | - | 57C | C23 H31 N3 O4 S | CCCc1c(c([.... |
146 | 4NUC | Ki = 0.91 uM | 435 | C19 H18 N4 O3 S | Cc1cc(cc(c.... |
147 | 4HXL | ic50 = 2.2 uM | 1A9 | C22 H25 N3 O4 S3 | c1cc(sc1)S.... |
148 | 6CIY | ic50 = 0.41 uM | F3J | C34 H42 N8 O3 | CN1CCN(CC1.... |
149 | 5D3L | Kd = 0.88 uM | 57F | C21 H29 N3 O5 S | CCc1c(c([n.... |
150 | 4A9L | - | P9L | C14 H19 N3 O4 S | CN1Cc2cc(c.... |
151 | 4XYA | Kd = 1370 nM | 43S | C13 H8 Br N5 O | c1coc2c1cc.... |
152 | 4C66 | - | H4C | C17 H16 Cl N4 S | CCc1cc2c(s.... |
153 | 6UWU | ic50 ~ 70 nM | QKP | C27 H34 N2 O6 | Cc1cc(cc(c.... |
154 | 4O76 | ic50 = 0.13 uM | 1M3 | C26 H35 N7 O2 S | Cc1cnc(nc1.... |
155 | 5LJ2 | ic50 = 10 uM | 6XW | C25 H32 N6 O4 S | CC1=Cc2c(c.... |
156 | 6CD5 | - | R4L | C35 H44 N8 O3 | CN1CCN(CC1.... |
157 | 5I80 | Kd = 62 nM | 67B | C17 H17 N3 O2 | CN1C=C(c2c.... |
158 | 4O75 | ic50 = 21 uM | 2RC | C23 H26 F N6 O9 P | CC1(C(=O)N.... |
159 | 5NNF | - | PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU | n/a | n/a |
160 | 3ZYU | ic50 = 0.1 uM | 1GH | C23 H21 N5 O3 | Cc1c(c(on1.... |
161 | 4Z1Q | ic50 = 0.015 uM | 558 | C23 H21 Cl N6 | Cc1nnc2n1-.... |
162 | 6SA3 | Kd = 0.42 uM | L2N | C23 H30 N4 O5 S | Cc1c2c(c([.... |
163 | 5IGK | Kd = 41.8 nM | BMF | C17 H20 N6 O4 S | CCOC(=O)Nc.... |
164 | 5Y1Y | ic50 = 0.98 uM | HNQ | C9 H6 N2 O3 | c1cc2c(ccc.... |
165 | 5Z5T | - | 96R | C12 H10 N4 O | c1cc2c(cc(.... |
166 | 6V1U | - | QMG | C20 H19 N3 O2 | Cc1ccc(cc1.... |
167 | 5KDH | Ki = 0.37 uM | 6RX | C18 H17 N3 O4 | CCN1C2=C([.... |
168 | 4PS5 | ic50 = 0.29 uM | 2TA | C27 H36 N6 O3 S | Cc1cnc(nc1.... |
169 | 5D24 | Kd = 5.8 uM | L26 | C18 H21 N3 O4 | CCc1c(c([n.... |
170 | 5ACY | Kd = 6.4 nM | 9S3 | C30 H35 N3 O | C[C@H]1C[C.... |
171 | 5HCL | ic50 = 6 mM | 5Y9 | C4 H9 N O | CC(=O)N(C).... |
172 | 5COI | ic50 = 2.58 uM | 55K | C20 H22 N2 O5 S | CCN1c2ccc(.... |
173 | 6UWX | Kd = 290 uM | QKD | C12 H17 N O2 S2 | CCOC(=O)N1.... |
174 | 5Y8Y | Kd = 82 nM | 8PX | C16 H15 Br N2 O5 S | Cc1c2cc(c(.... |
175 | 4HXM | ic50 = 0.79 uM | 1A8 | C17 H17 N3 O4 S3 | CCCC(=O)Nc.... |
176 | 5F62 | Kd = 6.8 nM | 5W1 | C26 H33 Cl F N7 O2 S | Cc1cnc(nc1.... |
177 | 5D3S | Kd = 1.3 uM | 579 | C20 H24 F N3 O5 S | CCc1c(c([n.... |
178 | 6YQP | ic50 = 1.35 uM | P8N | C29 H27 Cl N6 O3 S | Cc1c(sc-2c.... |
179 | 6AJX | Kd = 9.1 uM | HCC | C15 H12 O4 | c1cc(ccc1C.... |
180 | 4LYW | Kd = 237 nM | 21Q | C20 H27 N3 O5 S | CCc1c(c([n.... |
181 | 4HBV | ic50 = 23 uM | 15E | C9 H9 Br N2 O | CN1Cc2cc(c.... |
182 | 5LUU | Kd = 8.63 uM | 77X | C15 H17 N3 O | CCC(=O)N1C.... |
183 | 4YH3 | ic50 = 26 uM | Y80 | C24 H20 N2 O3 | COc1ccc(cc.... |
184 | 6AJV | Kd = 9.1 uM | HCC | C15 H12 O4 | c1cc(ccc1C.... |
185 | 6CZV | ic50 = 0.23 uM | FOY | C17 H16 N2 O2 | Cc1c(c(on1.... |
186 | 4X2I | ic50 = 0.35 uM | 3X0 | C18 H17 Cl N4 | Cc1nnc2n1-.... |
187 | 6CJ1 | ic50 = 6.31 uM | FND | C34 H44 N8 O3 | CC[C@H](C).... |
188 | 5F5Z | Kd = 86 nM | 5VY | C26 H35 N7 O2 S | Cc1cnc(nc1.... |
189 | 6UVJ | Kd = 20 uM | QJ1 | C11 H15 N O2 S2 | COC(=O)N1C.... |
190 | 6FNX | ic50 = 12.6 uM | DYZ | C14 H14 N4 O2 | CCn1cnc2c1.... |
191 | 4HBY | ic50 = 4.4 uM | 13F | C15 H15 N3 O3 S | CN1Cc2cc(c.... |
192 | 5D3J | Kd = 5.7 uM | L33 | C20 H27 N3 O4 S | CCc1c(c([n.... |
193 | 6AJY | Kd = 5.3 uM | A0R | C16 H14 O4 | COc1ccccc1.... |
194 | 3MUL | - | GLY GLY BTK ALA PRO ARG LYS GLN | n/a | n/a |
195 | 4LR6 | ic50 = 33 uM | 1XA | C10 H10 N2 O | Cc1c(c(on1.... |
196 | 5AD3 | Kd = 7.9 nM | K6K | C26 H30 N10 O3 | CN(CCOc1cc.... |
197 | 4PCI | ic50 = 7.5 uM | 2NJ | C16 H16 N2 O | CN1c2ccccc.... |
198 | 5D3T | Kd = 12 uM | 56Y | C19 H23 N3 O3 | CCc1c(c([n.... |
199 | 6SAH | Kd = 0.26 uM | L2W | C23 H29 N3 O5 S | Cc1c2c(c([.... |
200 | 5LJ1 | ic50 > 0.0000316 M | 6XX | C28 H35 F2 N5 O3 | Cc1cc(cnc1.... |
201 | 4O70 | ic50 = 19 uM | 1QK | C21 H29 N6 O2 | CCc1cnn2c1.... |
202 | 4XY9 | Kd = 4651 nM | 43U | C12 H10 Br N5 O | COc1ccc(cc.... |
203 | 3MXF | - | JQ1 | C23 H26 Cl N4 O2 S | Cc1c(sc-2c.... |
204 | 5CFW | Kd = 0.78 uM | 53W | C27 H32 N4 O3 | Cc1c(c(on1.... |
205 | 5A5S | ic50 = 1.3 uM | NP8 | C20 H23 N5 O2 | CC1=Cc2c(c.... |
206 | 4UIY | ic50 = 0.00000001 M | 5V2 | C21 H20 F3 N3 O3 S2 | CN1C=C(c2c.... |
207 | 6PS9 | ic50 = 79 uM | Y17 | C18 H21 N3 O2 | CN1C[C@@H].... |
208 | 4LZR | Kd = 20 uM | LOC | C22 H25 N O6 | CC(=O)N[C@.... |
209 | 6PRT | ic50 = 2120 uM | OWA | C8 H13 N O3 | CN1C[C@H](.... |
210 | 4BW1 | ic50 = 1.26 uM | S5B | C25 H25 N3 O3 | Cc1c(c(on1.... |
211 | 6YQO | ic50 = 4.53 uM | P8Q | C33 H36 Cl N7 O4 S | Cc1c(sc-2c.... |
212 | 4MEN | - | 25K | C15 H17 N5 | Cc1ccc(cc1.... |
213 | 6CIS | ic50 = 0.3 uM | X26 | C37 H48 N8 O3 | CC(C)Oc1cc.... |
214 | 6CKR | ic50 = 0.05 uM | F5V | C21 H20 N4 O3 S | Cn1cc(cn1).... |
215 | 4UIZ | ic50 = 0.00001995 M | N1D | C22 H25 N3 O6 S2 | CN1C=C(c2c.... |
216 | 5KJ0 | ic50 = 130 nM | 6TB | C29 H41 N7 O3 | CC[C@@H]1C.... |
217 | 4KV1 | - | THR PHE ALY SER ILE MET LYS | n/a | n/a |
218 | 5EGU | Kd = 1.4 uM | 5NQ | C23 H32 N8 O2 S | CCCCc1c(nc.... |
219 | 5Y8Z | ic50 = 0.62 uM | 8Q3 | C16 H15 Br N2 O4 S | Cc1cc2c(cc.... |
220 | 6VUB | ic50 = 629 uM | RLG | C11 H13 N O | CN1C[C@H](.... |
221 | 4BW3 | ic50 = 501 nM | 9BM | C25 H26 N4 O4 | Cc1c(c(on1.... |
222 | 3U5K | - | 08J | C18 H13 Cl F N3 | Cc1ncc2n1-.... |
223 | 4FLP | Kd = 190.1 nM | JQ1 | C23 H26 Cl N4 O2 S | Cc1c(sc-2c.... |
224 | 4KCX | Kd = 37 uM | 1QK | C21 H29 N6 O2 | CCc1cnn2c1.... |
225 | 4A9I | - | P9I | C15 H13 N2 O | C/C(=C/1C=.... |
226 | 4UYH | ic50 = 0.00000001 M | 9S3 | C30 H35 N3 O | C[C@H]1C[C.... |
227 | 4A9H | - | TVP | C12 H15 N O | C[C@H]1CCc.... |
228 | 4A9F | - | MB3 | C5 H9 N O | CN1CCCC1=O |
229 | 4ALG | ic50 = 0.5 uM | 1GH | C23 H21 N5 O3 | Cc1c(c(on1.... |
230 | 2YEK | ic50 = 32.5 nM | EAM | C22 H22 Cl N5 O2 | CCNC(=O)C[.... |
231 | 2YDW | Kd = 46 nM | WSH | C25 H21 N5 O2 | Cc1nnc2n1-.... |
232 | 4A9J | - | TYL | C8 H9 N O2 | CC(=O)Nc1c.... |
233 | 4A9M | ic50 = 0.5 uM | P9M | C17 H22 N2 O3 S | Cc1ccc(cc1.... |
234 | 4ALH | - | A9P | C11 H11 N O | Cc1c(c(on1.... |
235 | 4A9E | - | 3PF | C9 H10 N2 O | CN1Cc2cccc.... |
236 | 4A9O | - | A9O | C12 H13 N O | CCc1c(c(no.... |
237 | 4AKN | ic50 = 0.79 uM | S5B | C25 H25 N3 O3 | Cc1c(c(on1.... |
238 | 4A9N | ic50 = 1.5 uM | A9N | C15 H16 N2 O3 S | Cc1ccc(cc1.... |
239 | 4BJX | ic50 = 22 nM | 73B | C25 H23 Cl N2 O3 | C[C@H]1C[C.... |
240 | 4UYD | ic50 = 79.4 uM | V1T | C10 H11 N3 O2 | CN1c2ccc(c.... |
241 | 6MO8 | - | JWD | C19 H17 N3 O2 | Cc1c(c(on1.... |
242 | 6ONY | - | HWV | C28 H30 F N3 O4 | CCNC(=O)c1.... |
243 | 6JKE | - | BUX | C13 H6 Cl2 N2 O4 | c1cc(cc(c1.... |
244 | 6MO7 | - | JWA | C19 H25 N3 O4 S | Cc1ccc(cc1.... |
245 | 6MO9 | - | JVY | C19 H21 N3 O3 S | Cc1c(c(on1.... |
246 | 3AQA | - | BYH | C17 H16 N4 S2 | CN1c2ccccc.... |
247 | 6K05 | Ki = 95.5 nM | CQF | C22 H21 Cl N6 | Cc1nnc2n1-.... |
248 | 5WUU | ic50 = 0.81 uM | 7UU | C18 H18 N2 O3 S | CN(CCCNC1=.... |
249 | 6VIZ | Ki = 120 nM | QYY | C27 H29 N3 O5 S | CCNC(=O)c1.... |
250 | 6VIW | Ki = 21.6 nM | QYV | C24 H21 F2 N3 O5 S | CCNC(=O)c1.... |
251 | 5VOM | ic50 = 0.79 uM | 9GY | C24 H23 N3 O4 | C[C@H]1CN(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6JJ3 | ic50 = 100 nM | BS6 | C23 H25 N5 O4 S | CN1CCN(CC1.... |
2 | 6P05 | ic50 = 5.9 nM | YF2 | C30 H28 N6 O3 S | CCS(=O)(=O.... |
3 | 4IOO | - | BAE | C6 H13 N O | CC(C)(C)C(.... |
4 | 5I88 | Kd = 250 nM | 69G | C20 H21 N3 O2 | C/C=C/CN1C.... |
5 | 5DX4 | Kd = 0.137 uM | E0C | C20 H17 Br N2 O4 S | CCN1c2ccc(.... |
6 | 6JJB | ic50 = 49.5 nM | BT0 | C19 H16 N2 O4 S | CN1c2ccc(c.... |
7 | 3JVK | Kd = 118 uM | GLY GLY ALY ALA PRO ARG LYS GLN | n/a | n/a |
8 | 4HBX | ic50 = 1.9 uM | 14X | C13 H17 N3 O3 S | CN1Cc2cc(c.... |
9 | 4NUE | Ki = 0.15 uM | NUE | C19 H19 N5 O3 S | Cc1cc(c(c(.... |
10 | 6SB8 | Kd = 0.07 uM | L45 | C21 H27 N3 O5 S | CCN(CC)S(=.... |
11 | 5Y94 | Kd = 164 nM | 8QC | C16 H16 Br N3 O4 S | Cc1c2cc(c(.... |
12 | 6DMJ | - | 53W | C27 H32 N4 O3 | Cc1c(c(on1.... |
13 | 4HXR | ic50 = 4.1 uM | 1A4 | C13 H10 N2 O3 S3 | c1cc(cc(c1.... |
14 | 6DML | - | 9BM | C25 H26 N4 O4 | Cc1c(c(on1.... |
15 | 5TI5 | ic50 = 41 uM | 7CN | C16 H13 Br N2 O3 S | c1cc(cc(c1.... |
16 | 6VUJ | ic50 = 35.2 uM | RLY | C23 H30 N2 O5 S | CCN(CC)S(=.... |
17 | 6X7B | ic50 = 27 nM | ZVP | C26 H24 N4 O5 S | c1cc(cnc1).... |
18 | 4O7C | ic50 = 10 uM | 2RK | C22 H23 N5 O | C1CNCCC1C2.... |
19 | 4IOQ | - | BAQ | C4 H7 N O | C1CC(=O)NC.... |
20 | 4HXK | - | 1AJ | C11 H11 N3 O S | c1csc2c1CN.... |
21 | 6S6K | Kd = 0.18 uM | KXK | C24 H31 N3 O5 S | Cc1c2c(c([.... |
22 | 2YEL | ic50 = 15.5 nM | WSH | C25 H21 N5 O2 | Cc1nnc2n1-.... |
23 | 6RWJ | Kd = 6.41 uM | KLK | C12 H16 N2 O2 | Cc1c2c(c([.... |
24 | 6SA2 | Kd = 0.08 uM | L25 | C22 H27 N3 O6 S | Cc1c2c(c([.... |
25 | 6XV7 | - | O2Q | C14 H13 F2 N5 | Cc1nnc2n1n.... |
26 | 4BW4 | ic50 = 631 nM | 9B6 | C22 H16 F3 N5 O4 | Cc1c(c(on1.... |
27 | 4O72 | ic50 = 1 uM | 2R4 | C25 H19 N O3 S | c1ccc2c(c1.... |
28 | 5F63 | Kd = 12 nM | 5W2 | C28 H35 Cl F N7 O3 S | Cc1cnc(nc1.... |
29 | 5HLS | ic50 = 0.039 uM | 62G | C20 H16 Cl N3 O2 | Cc1c-2c(on.... |
30 | 4HBW | ic50 = 4.8 uM | 14Z | C11 H15 N3 O3 S | CCNS(=O)(=.... |
31 | 4OGI | Kd = 37 nM | R78 | C28 H39 N7 O3 | CC[C@@H]1C.... |
32 | 6WW8 | - | YR0 | C31 H32 N6 O4 S | CN(C)C(=O).... |
33 | 5TI7 | ic50 = 11 uM | 7CQ | C17 H19 Br N2 O4 S | COc1ccc(cc.... |
34 | 4J0S | ic50 = 0.382 uM | 1H3 | C18 H17 N O3 | Cc1c(c(on1.... |
35 | 6Q3Y | Kd = 54 nM | HG5 | C30 H38 N6 O2 | CC[C@@H]1C.... |
36 | 6SAJ | Kd = 0.05 uM | L2Z | C23 H27 N3 O6 S | Cc1c2c(c([.... |
37 | 4F3I | Kd = 36.1 nM | 0S6 | C20 H19 Cl N4 O2 S | Cc1c(sc-2c.... |
38 | 4QZS | Kd = 89 nM | JQ1 | C23 H26 Cl N4 O2 S | Cc1c(sc-2c.... |
39 | 6AFR | ic50 = 70 nM | 9E3 | C13 H10 F N3 O | c1cc2c(ccc.... |
40 | 4WIV | Kd = 550 nM | 3P2 | C21 H23 N5 O | Cc1c(c(on1.... |
41 | 6VUF | ic50 = 147 uM | RLV | C14 H20 N2 O3 S | CCCNS(=O)(.... |
42 | 3P5O | Kd = 55.2 nM | EAM | C22 H22 Cl N5 O2 | CCNC(=O)C[.... |
43 | 4UIX | ic50 = 0.00000001 M | TVU | C22 H24 N2 O6 S2 | CN1C=C(c2c.... |
44 | 4HXS | ic50 = 4.1 uM | 1A3 | C16 H14 N2 O3 S2 | c1ccc(cc1).... |
45 | 5HM0 | ic50 = 0.44 uM | 62V | C18 H13 Cl N2 O | Cc1c-2c(on.... |
46 | 5DLX | Kd = 2 uM | 5D2 | C25 H33 Cl N8 O | Cc1nnc2n1n.... |
47 | 5TI2 | ic50 = 24 uM | 7CJ | C16 H15 F N2 O3 S | c1cc(cc(c1.... |
48 | 5D3H | Kd = 7.9 uM | 57G | C20 H27 N3 O6 S | CCc1c(c([n.... |
49 | 6E4A | Kd = 44 nM | HRY | C29 H34 Cl N7 O | CN1C=C(C=C.... |
50 | 4MEP | ic50 = 4.7 uM | 24Y | C19 H14 Cl N5 O | Cc1cccnc1n.... |
51 | 4YH4 | ic50 = 26 uM | Y81 | C20 H15 N3 O2 | c1ccc(cc1).... |
52 | 5D3N | Kd = 9.2 uM | L40 | C18 H23 N3 O4 S | CCc1c(c([n.... |
53 | 6C7R | Kd = 2.2 nM | EO4 | C24 H25 N7 O2 | Cc1c(c(on1.... |
54 | 6WGX | ic50 = 0.15 uM | U0D | C31 H36 F3 N7 | Cc1cc(cc(c.... |
55 | 6HOV | - | FER | C10 H10 O4 | COc1cc(ccc.... |
56 | 5D26 | Kd = 0.81 uM | L28 | C19 H26 N4 O5 S | CCc1c(c([n.... |
57 | 3MUK | Kd = 380 uM | ALA THR PRK ALA ALA ARG LYS SER | n/a | n/a |
58 | 4J3I | Kd = 8.93 uM | 1K0 | C20 H22 N2 O5 | Cc1cc(cc(c.... |
59 | 6X7D | ic50 = 388 nM | UT4 | C19 H18 N2 O4 S | c1cc2c(cc1.... |
60 | 4QB3 | Kd = 3.4 uM | 30M | C17 H21 N3 O2 | CC(=O)NCCC.... |
61 | 4LZS | Kd = 16 uM | L46 | C11 H16 N2 O2 | CCc1c(c([n.... |
62 | 6HDQ | ic50 = 5.01 uM | FZE | C30 H37 F2 N5 O | Cc1cc(cnc1.... |
63 | 4O71 | ic50 = 18 uM | CPB | C21 H20 Cl N O5 | C[N@]1CC[C.... |
64 | 4CFL | Kd = 1.33 uM | 8DQ | C19 H18 N2 O2 | c1ccc(cc1).... |
65 | 4C67 | - | L5S | C15 H12 N4 S | Cc1nnc2n1-.... |
66 | 6V1K | - | 5SW | C20 H23 N3 O3 | CN1C=C(c2c.... |
67 | 4QR3 | ic50 = 1.4 uM | BNJ | C14 H16 N2 O3 S2 | c1cc(cc(c1.... |
68 | 4ZC9 | - | 4MW | C38 H37 Cl N8 O7 S | Cc1c(sc-2c.... |
69 | 4MEO | - | 25V | C18 H16 N2 O2 | Cc1cc(c2cc.... |
70 | 6UVM | Kd = 510 uM | QJA | C11 H13 N O S2 | CC(=O)N1CC.... |
71 | 4LRG | ic50 = 0.026 uM | 1XB | C20 H18 Cl N3 O2 S | Cc1c(sc-2c.... |
72 | 6CKS | ic50 = 0.015 uM | F5Y | C23 H23 N3 O4 S | CCS(=O)(=O.... |
73 | 6DJC | Ki = 232.8 nM | CF6 | C48 H54 Cl2 N10 O2 S2 | Cc1c(sc-2c.... |
74 | 5TI3 | ic50 = 44 uM | 7CG | C16 H14 Br2 N2 O3 S | c1cc(cc(c1.... |
75 | 4HXP | - | 1A5 | C10 H10 N2 O3 | c1cc(ccc1C.... |
76 | 6PSB | ic50 = 24 uM | Y18 | C17 H19 N3 O2 | CN1C[C@H](.... |
77 | 6CD4 | ic50 = 5.14 uM | EX1 | C33 H42 N8 O3 | CC(C)N1c2c.... |
78 | 4O7E | ic50 = 5.7 uM | 2RN | C20 H15 N3 O | c1ccc(cc1).... |
79 | 4O74 | ic50 = 0.025 uM | R78 | C28 H39 N7 O3 | CC[C@@H]1C.... |
80 | 4BW2 | ic50 = 6.31 uM | UTH | C24 H24 N4 O3 | Cc1c(c(on1.... |
81 | 5CS8 | ic50 = 2.29 uM | EB8 | C21 H18 N2 O5 S | CCN1c2ccc(.... |
82 | 3U5J | Kd = 2.46 uM | 08H | C17 H13 Cl N4 | Cc1nnc2n1-.... |
83 | 5EIS | Kd = 1.8 uM | 5OU | C14 H13 Cl N4 O2 | CCn1cnc2c1.... |
84 | 6FO5 | Kd = 0.19 uM | DZH | C25 H26 N6 O5 S | CCn1cnc2c1.... |
85 | 6V1L | Kd = 418 nM | 5U6 | C20 H23 N3 O3 | CN1C=C(c2c.... |
86 | 3U5L | Kd = 0.64 uM | 08K | C17 H14 Cl N5 | Cc1nnc2n1-.... |
87 | 4QR4 | ic50 = 0.25 uM | BNK | C14 H15 Cl N2 O3 S2 | c1cc(c(cc1.... |
88 | 4O7A | ic50 = 19 uM | 2RF | C16 H10 Cl2 N2 O3 | c1cc(cc(c1.... |
89 | 5F61 | Kd = 35 nM | 5W0 | C26 H34 F N7 O2 S | Cc1cnc(nc1.... |
90 | 4HXN | - | 1A7 | C9 H6 F N O S | c1ccc(c(c1.... |
91 | 6DL2 | Ki = 33 nM | GUJ | C17 H17 N3 O S | Cc1c(c2c(s.... |
92 | 5Z5U | - | 96U | C12 H10 N4 O2 | c1cn(cn1)c.... |
93 | 5TI4 | ic50 = 26 uM | 7CM | C16 H14 Cl F N2 O3 S | c1cc(cc(c1.... |
94 | 5Y8C | ic50 = 0.16 uM | 8P9 | C16 H15 Cl N2 O5 S | Cc1c2cc(c(.... |
95 | 4NUD | Ki < 0.0845 uM | NUD | C18 H17 N5 O3 S | Cc1cc(c(cc.... |
96 | 4O7B | ic50 = 20 uM | 2RJ | C26 H26 F N5 O | Cc1cccc(c1.... |
97 | 5CPE | ic50 = 0.45 uM | EB2 | C20 H24 N2 O3 S | CCN1c2ccc(.... |
98 | 5MLI | ic50 = 130 uM | 82I | C6 H8 Cl N3 O | CNC1=C(C(=.... |
99 | 5DW2 | Kd = 1.44 uM | 5GD | C24 H29 N3 O4 | Cc1cc(cc(c.... |
100 | 5D3P | Kd = 7.4 uM | 57E | C19 H21 N3 O4 S | CCc1c(c([n.... |
101 | 4PCE | ic50 = 7 uM | 2N0 | C17 H19 N O | CCc1cc2c(n.... |
102 | 5D25 | Kd = 0.46 uM | 56M | C19 H25 N3 O5 S | CCN(CC)S(=.... |
103 | 5DLZ | Kd = 1.8 uM | 5D1 | C28 H35 N3 O3 | Cc1cccc(c1.... |
104 | 5Y8W | ic50 = 0.23 uM | 8PU | C15 H13 Br N2 O5 S | Cc1c2cc(c(.... |
105 | 4J0R | ic50 = 0.386 uM | 1H2 | C18 H17 N O3 | Cc1c(c(on1.... |
106 | 6MH7 | ic50 = 1.3 uM | JQY | C26 H27 F N6 | Cc1ccc(cc1.... |
107 | 5F60 | Kd = 43 nM | 5VZ | C26 H34 Cl N7 O2 S | Cc1cnc(nc1.... |
108 | 5Z5V | ic50 = 287 nM | 96X | C15 H14 N4 O2 | CC(=O)Nc1c.... |
109 | 4HXO | - | 1A6 | C11 H10 N4 O S | Cc1cc(on1).... |
110 | 5CRM | ic50 = 1.09 uM | EB5 | C15 H16 N2 O3 S | CCNS(=O)(=.... |
111 | 6YQN | ic50 = 0.72 uM | P8T | C32 H28 Cl N7 O2 S | Cc1c(sc-2c.... |
112 | 5CQT | Kd = 0.124 uM | EB3 | C19 H22 N2 O3 S | CCN1c2ccc(.... |
113 | 5KHM | Ki = 5.012 nM | XNH | C25 H33 N7 O3 | C[C@@H]1C(.... |
114 | 6XV3 | - | O2B | C28 H33 N9 O | Cc1nnc2n1c.... |
115 | 4Z1S | ic50 = 0.79 uM | 559 | C23 H21 Cl N6 | Cc1nnc2n1-.... |
116 | 4MR3 | - | 1K0 | C20 H22 N2 O5 | Cc1cc(cc(c.... |
117 | 5MKZ | ic50 = 20 uM | RNK | C11 H12 Cl N3 O S | Cc1ccsc1CN.... |
118 | 5ULA | Ki = 77 nM | 5MJ | C20 H19 Cl N2 O3 | CC1=C(CCC1.... |
119 | 4O78 | ic50 = 4.6 uM | SAV | C21 H22 N6 O3 | Cc1c2ccc(c.... |
120 | 6XVC | - | O32 | C22 H21 N5 O2 | Cc1nnc2n1c.... |
121 | 4OGJ | Kd = 164 nM | 2TA | C27 H36 N6 O3 S | Cc1cnc(nc1.... |
122 | 5A85 | ic50 = 5.01 uM | 78J | C21 H30 N4 O2 | CC1=Cc2ccn.... |
123 | 5TI6 | ic50 = 21 uM | 7CO | C16 H14 F2 N2 O3 S | c1cc(cc(c1.... |
124 | 6MAU | - | JBS | C30 H32 N6 O3 | Cc1c(c(on1.... |
125 | 6S4B | Kd = 0.14 uM | KUH | C22 H29 N3 O5 S | CCN(CC)S(=.... |
126 | 6Q3Z | Kd = 44 nM | HG8 | C29 H38 N6 O2 S | CC[C@@H]1C.... |
127 | 6V0U | Kd = 392 nM | BMF | C17 H20 N6 O4 S | CCOC(=O)Nc.... |
128 | 6VUC | ic50 = 144 uM | RLS | C16 H22 N2 O3 S | CN1C[C@H](.... |
129 | 4MR4 | - | 1K0 | C20 H22 N2 O5 | Cc1cc(cc(c.... |
130 | 4QR5 | ic50 = 0.06 uM | BNM | C18 H21 N3 O4 S2 | c1c(cc(cc1.... |
131 | 4MEQ | - | 25O | C12 H11 N5 | Cc1cc(n2c(.... |
132 | 4O77 | ic50 = 2.5 uM | 2RE | C20 H14 F N3 O | c1cc(ccc1c.... |
133 | 6XUZ | - | O1W | C24 H33 N9 O2 | Cc1nnc2n1c.... |
134 | 5EI4 | ic50 = 26.4 uM | 5NV | C17 H17 Cl N8 O2 S | CCn1c(nc2c.... |
135 | 5CY9 | Kd = 0.218 uM | E0A | C17 H20 N2 O3 S | CCCCS(=O)(.... |
136 | 6MH1 | ic50 = 1.7 uM | JQP | C26 H27 F N6 | Cc1cc(cc(c.... |
137 | 5CRZ | ic50 = 0.45 uM | EB7 | C19 H14 Cl F N2 O3 S | CCN1c2ccc(.... |
138 | 5Y93 | ic50 = 2.27 uM | 8Q9 | C23 H27 Br N4 O7 S | Cc1c2cc(c(.... |
139 | 5AD2 | Kd = 63 nM | ETU | C24 H30 Cl N7 O2 | C[C@@H]1C(.... |
140 | 4E96 | ic50 = 0.22 uM | 0NS | C16 H17 N3 O4 S | CN1Cc2cc(c.... |
141 | 5D0C | Kd = 2.34 uM | E0B | C21 H25 N3 O4 S | CCN1c2ccc(.... |
142 | 4O7F | ic50 = 13 uM | 2RQ | C25 H24 F N5 O2 | COc1ccccc1.... |
143 | 5CP5 | Kd = 1.234 uM | EB0 | C19 H15 F N2 O3 S | CCN1c2ccc(.... |
144 | 4CFK | Kd = 1.83 uM | LY2 | C19 H17 N O3 | c1ccc(cc1).... |
145 | 5D3R | - | 57C | C23 H31 N3 O4 S | CCCc1c(c([.... |
146 | 4NUC | Ki = 0.91 uM | 435 | C19 H18 N4 O3 S | Cc1cc(cc(c.... |
147 | 4HXL | ic50 = 2.2 uM | 1A9 | C22 H25 N3 O4 S3 | c1cc(sc1)S.... |
148 | 6CIY | ic50 = 0.41 uM | F3J | C34 H42 N8 O3 | CN1CCN(CC1.... |
149 | 5D3L | Kd = 0.88 uM | 57F | C21 H29 N3 O5 S | CCc1c(c([n.... |
150 | 4A9L | - | P9L | C14 H19 N3 O4 S | CN1Cc2cc(c.... |
151 | 4XYA | Kd = 1370 nM | 43S | C13 H8 Br N5 O | c1coc2c1cc.... |
152 | 4C66 | - | H4C | C17 H16 Cl N4 S | CCc1cc2c(s.... |
153 | 6UWU | ic50 ~ 70 nM | QKP | C27 H34 N2 O6 | Cc1cc(cc(c.... |
154 | 4O76 | ic50 = 0.13 uM | 1M3 | C26 H35 N7 O2 S | Cc1cnc(nc1.... |
155 | 5LJ2 | ic50 = 10 uM | 6XW | C25 H32 N6 O4 S | CC1=Cc2c(c.... |
156 | 6CD5 | - | R4L | C35 H44 N8 O3 | CN1CCN(CC1.... |
157 | 5I80 | Kd = 62 nM | 67B | C17 H17 N3 O2 | CN1C=C(c2c.... |
158 | 4O75 | ic50 = 21 uM | 2RC | C23 H26 F N6 O9 P | CC1(C(=O)N.... |
159 | 5NNF | - | PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU | n/a | n/a |
160 | 3ZYU | ic50 = 0.1 uM | 1GH | C23 H21 N5 O3 | Cc1c(c(on1.... |
161 | 4Z1Q | ic50 = 0.015 uM | 558 | C23 H21 Cl N6 | Cc1nnc2n1-.... |
162 | 6SA3 | Kd = 0.42 uM | L2N | C23 H30 N4 O5 S | Cc1c2c(c([.... |
163 | 5IGK | Kd = 41.8 nM | BMF | C17 H20 N6 O4 S | CCOC(=O)Nc.... |
164 | 5Y1Y | ic50 = 0.98 uM | HNQ | C9 H6 N2 O3 | c1cc2c(ccc.... |
165 | 5Z5T | - | 96R | C12 H10 N4 O | c1cc2c(cc(.... |
166 | 6V1U | - | QMG | C20 H19 N3 O2 | Cc1ccc(cc1.... |
167 | 5KDH | Ki = 0.37 uM | 6RX | C18 H17 N3 O4 | CCN1C2=C([.... |
168 | 4PS5 | ic50 = 0.29 uM | 2TA | C27 H36 N6 O3 S | Cc1cnc(nc1.... |
169 | 5D24 | Kd = 5.8 uM | L26 | C18 H21 N3 O4 | CCc1c(c([n.... |
170 | 5ACY | Kd = 6.4 nM | 9S3 | C30 H35 N3 O | C[C@H]1C[C.... |
171 | 5HCL | ic50 = 6 mM | 5Y9 | C4 H9 N O | CC(=O)N(C).... |
172 | 5COI | ic50 = 2.58 uM | 55K | C20 H22 N2 O5 S | CCN1c2ccc(.... |
173 | 6UWX | Kd = 290 uM | QKD | C12 H17 N O2 S2 | CCOC(=O)N1.... |
174 | 5Y8Y | Kd = 82 nM | 8PX | C16 H15 Br N2 O5 S | Cc1c2cc(c(.... |
175 | 4HXM | ic50 = 0.79 uM | 1A8 | C17 H17 N3 O4 S3 | CCCC(=O)Nc.... |
176 | 5F62 | Kd = 6.8 nM | 5W1 | C26 H33 Cl F N7 O2 S | Cc1cnc(nc1.... |
177 | 5D3S | Kd = 1.3 uM | 579 | C20 H24 F N3 O5 S | CCc1c(c([n.... |
178 | 6YQP | ic50 = 1.35 uM | P8N | C29 H27 Cl N6 O3 S | Cc1c(sc-2c.... |
179 | 6AJX | Kd = 9.1 uM | HCC | C15 H12 O4 | c1cc(ccc1C.... |
180 | 4LYW | Kd = 237 nM | 21Q | C20 H27 N3 O5 S | CCc1c(c([n.... |
181 | 4HBV | ic50 = 23 uM | 15E | C9 H9 Br N2 O | CN1Cc2cc(c.... |
182 | 5LUU | Kd = 8.63 uM | 77X | C15 H17 N3 O | CCC(=O)N1C.... |
183 | 4YH3 | ic50 = 26 uM | Y80 | C24 H20 N2 O3 | COc1ccc(cc.... |
184 | 6AJV | Kd = 9.1 uM | HCC | C15 H12 O4 | c1cc(ccc1C.... |
185 | 6CZV | ic50 = 0.23 uM | FOY | C17 H16 N2 O2 | Cc1c(c(on1.... |
186 | 4X2I | ic50 = 0.35 uM | 3X0 | C18 H17 Cl N4 | Cc1nnc2n1-.... |
187 | 6CJ1 | ic50 = 6.31 uM | FND | C34 H44 N8 O3 | CC[C@H](C).... |
188 | 5F5Z | Kd = 86 nM | 5VY | C26 H35 N7 O2 S | Cc1cnc(nc1.... |
189 | 6UVJ | Kd = 20 uM | QJ1 | C11 H15 N O2 S2 | COC(=O)N1C.... |
190 | 6FNX | ic50 = 12.6 uM | DYZ | C14 H14 N4 O2 | CCn1cnc2c1.... |
191 | 4HBY | ic50 = 4.4 uM | 13F | C15 H15 N3 O3 S | CN1Cc2cc(c.... |
192 | 5D3J | Kd = 5.7 uM | L33 | C20 H27 N3 O4 S | CCc1c(c([n.... |
193 | 6AJY | Kd = 5.3 uM | A0R | C16 H14 O4 | COc1ccccc1.... |
194 | 3MUL | - | GLY GLY BTK ALA PRO ARG LYS GLN | n/a | n/a |
195 | 4LR6 | ic50 = 33 uM | 1XA | C10 H10 N2 O | Cc1c(c(on1.... |
196 | 5AD3 | Kd = 7.9 nM | K6K | C26 H30 N10 O3 | CN(CCOc1cc.... |
197 | 4PCI | ic50 = 7.5 uM | 2NJ | C16 H16 N2 O | CN1c2ccccc.... |
198 | 5D3T | Kd = 12 uM | 56Y | C19 H23 N3 O3 | CCc1c(c([n.... |
199 | 6SAH | Kd = 0.26 uM | L2W | C23 H29 N3 O5 S | Cc1c2c(c([.... |
200 | 5LJ1 | ic50 > 0.0000316 M | 6XX | C28 H35 F2 N5 O3 | Cc1cc(cnc1.... |
201 | 4O70 | ic50 = 19 uM | 1QK | C21 H29 N6 O2 | CCc1cnn2c1.... |
202 | 4XY9 | Kd = 4651 nM | 43U | C12 H10 Br N5 O | COc1ccc(cc.... |
203 | 3MXF | - | JQ1 | C23 H26 Cl N4 O2 S | Cc1c(sc-2c.... |
204 | 5CFW | Kd = 0.78 uM | 53W | C27 H32 N4 O3 | Cc1c(c(on1.... |
205 | 5A5S | ic50 = 1.3 uM | NP8 | C20 H23 N5 O2 | CC1=Cc2c(c.... |
206 | 4UIY | ic50 = 0.00000001 M | 5V2 | C21 H20 F3 N3 O3 S2 | CN1C=C(c2c.... |
207 | 6PS9 | ic50 = 79 uM | Y17 | C18 H21 N3 O2 | CN1C[C@@H].... |
208 | 4LZR | Kd = 20 uM | LOC | C22 H25 N O6 | CC(=O)N[C@.... |
209 | 6PRT | ic50 = 2120 uM | OWA | C8 H13 N O3 | CN1C[C@H](.... |
210 | 4BW1 | ic50 = 1.26 uM | S5B | C25 H25 N3 O3 | Cc1c(c(on1.... |
211 | 6YQO | ic50 = 4.53 uM | P8Q | C33 H36 Cl N7 O4 S | Cc1c(sc-2c.... |
212 | 4MEN | - | 25K | C15 H17 N5 | Cc1ccc(cc1.... |
213 | 6CIS | ic50 = 0.3 uM | X26 | C37 H48 N8 O3 | CC(C)Oc1cc.... |
214 | 6CKR | ic50 = 0.05 uM | F5V | C21 H20 N4 O3 S | Cn1cc(cn1).... |
215 | 4UIZ | ic50 = 0.00001995 M | N1D | C22 H25 N3 O6 S2 | CN1C=C(c2c.... |
216 | 5KJ0 | ic50 = 130 nM | 6TB | C29 H41 N7 O3 | CC[C@@H]1C.... |
217 | 4KV1 | - | THR PHE ALY SER ILE MET LYS | n/a | n/a |
218 | 5EGU | Kd = 1.4 uM | 5NQ | C23 H32 N8 O2 S | CCCCc1c(nc.... |
219 | 5Y8Z | ic50 = 0.62 uM | 8Q3 | C16 H15 Br N2 O4 S | Cc1cc2c(cc.... |
220 | 6VUB | ic50 = 629 uM | RLG | C11 H13 N O | CN1C[C@H](.... |
221 | 4BW3 | ic50 = 501 nM | 9BM | C25 H26 N4 O4 | Cc1c(c(on1.... |
222 | 3U5K | - | 08J | C18 H13 Cl F N3 | Cc1ncc2n1-.... |
223 | 6FGH | - | 6RZ | C10 H16 N2 O2 S | Cc1c(cccn1.... |
224 | 6FG6 | - | D8Q | C9 H13 N3 O2 | CN1C=C(C=C.... |
225 | 6FGG | Kd = 17 uM | D9B | C18 H20 N4 O4 | CN1C=C(C=C.... |
226 | 5MGJ | Kd = 51 uM | 7MX | C9 H10 Cl N O3 | CCOC(=O)C1.... |
227 | 6FGV | - | D9T | C14 H21 N3 O2 | CN1C=C(C=C.... |
228 | 6FGL | ic50 = 24 uM | UO1 | C19 H18 N2 O3 | Cc1ccc(cc1.... |
229 | 5OR8 | - | JR4 | C17 H18 F N3 O3 S | Cc1cc2c(cc.... |
230 | 5FE0 | - | ALY | C8 H16 N2 O3 | CC(=O)NCCC.... |
231 | 5LVR | Kd = 250 uM | 78Y | C10 H10 N4 O | Cc1c(nn(n1.... |
232 | 5FDZ | Kd = 6.8 uM | 5X0 | C21 H24 N2 O5 | CNC(=O)c1c.... |
233 | 5FE1 | - | 12Q | C10 H9 N O | CN1c2ccccc.... |
234 | 5FE6 | Kd = 6910 uM | 5WZ | C9 H16 N2 O | C1CC1C(=O).... |
235 | 5FE2 | - | 5WV | C9 H9 N O | CN1Cc2cccc.... |
236 | 5FE7 | Kd = 488 uM | 5WU | C10 H14 N2 O2 | Cc1c2c(n(n.... |
237 | 5FE8 | - | 5WT | C13 H14 N2 O2 | CC1=CC(=O).... |
238 | 5FE4 | - | 5WY | C9 H9 N O3 | c1cc(c2c(c.... |
239 | 5FE9 | Kd = 20.98 uM | 5WS | C12 H14 N2 O3 S | CC1=CC(=O).... |
240 | 5FE5 | - | 2QC | C9 H9 N3 S | c1cc(ccc1C.... |
241 | 5MKX | ic50 = 20 uM | 82I | C6 H8 Cl N3 O | CNC1=C(C(=.... |
242 | 5LVQ | Kd = 73 uM | 2LX | C13 H17 N O3 | CNC(=O)c1c.... |
243 | 5FE3 | - | 5WX | C8 H8 N2 O2 | COc1cccc2c.... |
244 | 6C7Q | - | EO1 | C25 H23 N7 O2 | Cc1c(c(on1.... |
245 | 2YEM | ic50 = 15.5 nM | WSH | C25 H21 N5 O2 | Cc1nnc2n1-.... |
246 | 5JWM | ic50 = 3.09 nM | 6ON | C54 H66 Cl2 N10 O9 S2 | Cc1c(sc-2c.... |
247 | 5UOO | Ki = 1.4 nM | 8FV | C26 H21 N5 O2 | Cc1c(c(on1.... |
248 | 3QZS | Kd = 99 uM | LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL | n/a | n/a |
249 | 3QZT | - | LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL | n/a | n/a |
250 | 5U6V | ic50 = 21 nM | 7WY | C22 H19 Cl N6 | Cc1c-2n(nn.... |
251 | 5O3A | - | 31P | C23 H23 Cl N4 O3 | CC[C@H]([C.... |
252 | 5DFD | - | 59E | C23 H21 N5 O3 | Cc1nnc2n1-.... |
253 | 5XHK | - | LDR | C13 H9 N O | c1ccc2c(c1.... |
254 | 5O3D | - | 9J5 | C23 H23 Cl N4 O3 | CC[C@H]([C.... |
255 | 6YTM | Kd = 65 nM | PMW | C22 H25 Cl N4 O2 S | CC[C@H]([C.... |
256 | 6VIY | Ki = 1.1 nM | QYY | C27 H29 N3 O5 S | CCNC(=O)c1.... |
257 | 5IG6 | Kd = 213.7 uM | 6B3 | C27 H18 N2 O4 | c1ccc2c(c1.... |
258 | 5O3G | - | 9J8 | C25 H26 Cl N5 O2 | CCNC(=O)[C.... |
259 | 4J1P | Kd = 0.206 uM | 1K0 | C20 H22 N2 O5 | Cc1cc(cc(c.... |
260 | 5O3I | - | 9HN | C27 H29 Cl N4 O3 | Cc1nnc2n1-.... |
261 | 5UEW | - | 87D | C20 H20 N2 O5 S | CN1C=C(C(=.... |
262 | 5O3B | - | 9HZ | C24 H23 Cl N4 O3 | Cc1nnc2n1-.... |
263 | 5O3E | - | 9HW | C23 H24 Cl N5 O2 | CCNC(=O)[C.... |
264 | 3ONI | - | JQ1 | C23 H26 Cl N4 O2 S | Cc1c(sc-2c.... |
265 | 6K04 | Ki = 3.1 nM | CQF | C22 H21 Cl N6 | Cc1nnc2n1-.... |
266 | 5O39 | - | 31O | C22 H21 Cl N4 O3 | Cc1nnc2n1-.... |
267 | 5O3H | - | 9HQ | C23 H24 Cl N5 O2 | CCNC(=O)[C.... |
268 | 5O3C | - | 9J2 | C22 H21 Cl N4 O3 | Cc1nnc2n1-.... |
269 | 4MR6 | - | 1K0 | C20 H22 N2 O5 | Cc1cc(cc(c.... |
270 | 6MOA | Kd = 2.5 nM | JW4 | C25 H22 N4 O | Cc1ccc2c(c.... |
271 | 5DW1 | ic50 = 0.08 uM | 5GD | C24 H29 N3 O4 | Cc1cc(cc(c.... |
272 | 5DFC | - | EAM | C22 H22 Cl N5 O2 | CCNC(=O)C[.... |
273 | 4MR5 | - | 1K0 | C20 H22 N2 O5 | Cc1cc(cc(c.... |
274 | 5O3F | - | 9HT | C24 H26 Cl N5 O2 | CC[C@H]([C.... |
275 | 2WP1 | - | LYS ALA PRO ARG ALY GLN LEU ALA THR LYS | n/a | n/a |
276 | 4FLP | Kd = 190.1 nM | JQ1 | C23 H26 Cl N4 O2 S | Cc1c(sc-2c.... |
277 | 4KCX | Kd = 37 uM | 1QK | C21 H29 N6 O2 | CCc1cnn2c1.... |
278 | 4A9I | - | P9I | C15 H13 N2 O | C/C(=C/1C=.... |
279 | 4UYH | ic50 = 0.00000001 M | 9S3 | C30 H35 N3 O | C[C@H]1C[C.... |
280 | 4A9H | - | TVP | C12 H15 N O | C[C@H]1CCc.... |
281 | 4A9F | - | MB3 | C5 H9 N O | CN1CCCC1=O |
282 | 4ALG | ic50 = 0.5 uM | 1GH | C23 H21 N5 O3 | Cc1c(c(on1.... |
283 | 2YEK | ic50 = 32.5 nM | EAM | C22 H22 Cl N5 O2 | CCNC(=O)C[.... |
284 | 2YDW | Kd = 46 nM | WSH | C25 H21 N5 O2 | Cc1nnc2n1-.... |
285 | 4A9J | - | TYL | C8 H9 N O2 | CC(=O)Nc1c.... |
286 | 4A9M | ic50 = 0.5 uM | P9M | C17 H22 N2 O3 S | Cc1ccc(cc1.... |
287 | 4ALH | - | A9P | C11 H11 N O | Cc1c(c(on1.... |
288 | 4A9E | - | 3PF | C9 H10 N2 O | CN1Cc2cccc.... |
289 | 4A9O | - | A9O | C12 H13 N O | CCc1c(c(no.... |
290 | 4AKN | ic50 = 0.79 uM | S5B | C25 H25 N3 O3 | Cc1c(c(on1.... |
291 | 4A9N | ic50 = 1.5 uM | A9N | C15 H16 N2 O3 S | Cc1ccc(cc1.... |
292 | 4KV4 | - | THR PHE ALY SER ILE MET LYS | n/a | n/a |
293 | 5UEZ | Ki = 970 nM | 89G | C18 H16 N2 O3 | CN1C(=O)C=.... |
294 | 6VIX | Ki = 1.3 nM | QYV | C24 H21 F2 N3 O5 S | CCNC(=O)c1.... |
295 | 5UF0 | Ki = 160 uM | 89J | C12 H13 N3 O | CNC1=CC(=O.... |
296 | 5UEU | - | 0S6 | C20 H19 Cl N4 O2 S | Cc1c(sc-2c.... |
297 | 4Z93 | Kd = 44.6 nM | 4LD | C24 H23 N5 O2 | Cc1c(c(n[n.... |
298 | 5UEY | Ki = 5.1 nM | 88M | C22 H24 F2 N2 O5 S | CCOC1=CC(=.... |
299 | 5UEX | Ki = 1.5 nM | 89D | C24 H26 F2 N2 O5 S | CCS(Nc1ccc.... |
300 | 5I8B | ic50 = 0.11 uM | 69F | C23 H22 N2 O2 | C[C@@H]1CC.... |
301 | 5I8G | Kd = 0.03 uM | 69E | C22 H22 N6 O | C[C@@H]1CC.... |
302 | 5N18 | Kd = 2.1 uM | 8HZ | C21 H19 N3 O | Cc1ccc(cc1.... |
303 | 5MLJ | Ki = 1.4 nM | 9ST | C17 H21 Br N4 O | CN1C[C@H](.... |
304 | 6J3P | Kd = 105 nM | B8O | C21 H25 N5 O3 | CN1C[C@H](.... |
305 | 6AXQ | ic50 = 99000 nM | C2Y | C10 H9 N O2 | COC(=O)c1c.... |
306 | 5DBM | Kd = 0.35 uM | 58N | C17 H22 N4 O | C[C@@H]1CC.... |
307 | 5LPM | Kd = 2.77 uM | 71Y | C20 H23 Cl N2 O3 | CCc1c(c([n.... |
308 | 5NRW | - | 96N | C21 H22 N2 O2 | CCc1c(c([n.... |
309 | 3P1D | - | MB3 | C5 H9 N O | CN1CCCC1=O |
310 | 5LPJ | Kd = 10.1 uM | XDM | C17 H19 Cl N2 O2 | CCc1c(c([n.... |
311 | 6FQO | ic50 = 0.14 uM | E2T | C26 H24 N2 O6 | CCOc1ccc(c.... |
312 | 4TQN | Kd = 0.77 uM | UL4 | C18 H17 N O5 | CCOc1ccc(c.... |
313 | 6FRF | ic50 = 0.04 uM | E3T | C26 H24 N2 O5 | CCOc1ccc(c.... |
314 | 5TB6 | Kd = 1.53 uM | 77X | C15 H17 N3 O | CCC(=O)N1C.... |
315 | 5MQK | - | QPR | C11 H11 N O | CC(=O)c1cn.... |
316 | 5MQG | - | F31 | C9 H11 N O2 | CC(=O)c1cc.... |
317 | 5I83 | ic50 = 4.1 uM | 68Y | C18 H20 N2 O2 | C[C@@H]1CC.... |
318 | 4A9K | - | TYL | C8 H9 N O2 | CC(=O)Nc1c.... |
319 | 5I86 | ic50 = 0.53 uM | 69A | C18 H19 N3 O2 | C[C@@H]1CC.... |
320 | 6FR0 | ic50 = 0.146 uM | E3H | C27 H26 N2 O6 | CCN1C(=O)C.... |
321 | 5NU5 | Kd = 0.47 uM | 99E | C21 H22 N2 O4 | CCc1c(c([n.... |
322 | 5LPK | Kd = 3.06 uM | XDM | C17 H19 Cl N2 O2 | CCc1c(c([n.... |
323 | 5MME | Kd = 1.4 uM | 8Q6 | C20 H21 N O6 | CCOc1ccc(c.... |
324 | 5I89 | ic50 = 0.033 uM | 69B | C21 H22 N4 O | C[C@@H]1CC.... |
325 | 5NU3 | Kd = 0.23 uM | 99E | C21 H22 N2 O4 | CCc1c(c([n.... |
326 | 5OWK | - | 7MX | C9 H10 Cl N O3 | CCOC(=O)C1.... |
327 | 6AY5 | ic50 = 69 nM | C3V | C22 H20 F2 N4 O S | Cn1cc(cn1).... |
328 | 5LPL | Kd = 12 uM | 71X | C20 H23 Cl N2 O3 | CCc1c(c([n.... |
329 | 6FQU | ic50 = 2.2 uM | E3B | C21 H23 F2 N O2 | CCOc1ccc(c.... |
330 | 6DMK | - | 2LL | C26 H30 N4 O2 | Cc1c(c(on1.... |
331 | 5MMG | Kd = 0.97 uM | UT0 | C19 H20 N2 O4 S | CCOc1ccc(c.... |
332 | 5MPN | Kd = 0.085 uM | YE5 | C17 H16 N4 O2 | CCOc1ccc(c.... |
333 | 5J0D | Kd = 134 nM | 6F9 | C27 H35 N3 O5 | CCC(=O)N1C.... |
334 | 6AY3 | ic50 = 9.5 nM | C3J | C24 H23 F2 N5 O | CNC(=O)c1c.... |
335 | 5MPK | Kd = 0.003 uM | 0BC | C21 H18 N6 O3 S | CCOc1ccc(c.... |
336 | 5CGP | Kd = 0.12 uM | 53W | C27 H32 N4 O3 | Cc1c(c(on1.... |
337 | 4BJX | ic50 = 22 nM | 73B | C25 H23 Cl N2 O3 | C[C@H]1C[C.... |
338 | 4UYD | ic50 = 79.4 uM | V1T | C10 H11 N3 O2 | CN1c2ccc(c.... |
339 | 4XUB | ic50 = 1.07 uM | 43D | C19 H18 N8 | Cc1cn(nn1).... |
340 | 4XUA | ic50 = 26 uM | 43C | C21 H18 N6 | Cc1cn(nn1).... |
341 | 5MGF | Kd = 54 uM | 7MW | C9 H11 N O3 | CCC(=O)c1c.... |
342 | 5E9I | - | F60 | C8 H7 N O | c1cc(cc2c1.... |
343 | 6FGT | - | D9T | C14 H21 N3 O2 | CN1C=C(C=C.... |
344 | 4NRB | ic50 = 38 uM | 2LX | C13 H17 N O3 | CNC(=O)c1c.... |
345 | 6FH6 | - | D8Q | C9 H13 N3 O2 | CN1C=C(C=C.... |
346 | 5MGG | - | 7MU | C7 H7 Cl N2 O | CNC(=O)c1c.... |
347 | 5ORB | - | JR6 | C16 H19 N3 O2 S | Cn1c(c2c(n.... |
348 | 4NRC | ic50 = 241 uM | 2LY | C8 H9 N O3 S | CNC(=O)c1c.... |
349 | 6FH7 | - | EN2 | C17 H18 F N3 O3 | CN1C=C(C=C.... |
350 | 5E9K | - | 5KX | C3 H3 Cl N2 | c1cnc([nH].... |
351 | 4NRA | Kd = 65 uM | 2LW | C13 H13 Cl N2 O | CC(=O)N1CC.... |
352 | 5MGE | Kd = 87 uM | 7MX | C9 H10 Cl N O3 | CCOC(=O)C1.... |
353 | 4NR9 | - | ALY | C8 H16 N2 O3 | CC(=O)NCCC.... |
354 | 5E9L | - | 6AI | C7 H7 N3 | c1cc2cn[nH.... |
355 | 5OR9 | ic50 = 88 uM | JR5 | C18 H21 F N4 O3 S | Cn1c(c2c(n.... |
356 | 5E74 | Kd = 39 uM | 5KH | C25 H19 F3 N2 O3 | Cc1ccc(cc1.... |
357 | 5E9M | - | BAE | C6 H13 N O | CC(C)(C)C(.... |
358 | 6FGU | - | D9Q | C13 H19 N3 O2 | CN1C=C(C=C.... |
359 | 5DYX | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
360 | 5DYU | - | MZ0 | C4 H6 N2 O | c1c([nH]cn.... |
361 | 5E73 | Kd = 23 uM | UO1 | C19 H18 N2 O3 | Cc1ccc(cc1.... |
362 | 7K6R | - | 9ST | C17 H21 Br N4 O | CN1C[C@H](.... |
363 | 7KDW | - | WCV | C20 H21 N5 O | C#CCNc1ncc.... |
364 | 7KDZ | - | WCS | C22 H30 N6 O3 S | CN(C)CCCOc.... |
365 | 7K6S | - | VYM | C13 H16 N2 O | c1cc2c(cc1.... |
366 | 5A7C | ic50 = 0.00018 M | 5D4 | C10 H20 N2 O2 | CC(=O)NCCC.... |
367 | 5TPX | Kd = 280 nM | 7H7 | C21 H24 N6 | Cc1nnc2n1n.... |
368 | 6MO8 | - | JWD | C19 H17 N3 O2 | Cc1c(c(on1.... |
369 | 6ONY | - | HWV | C28 H30 F N3 O4 | CCNC(=O)c1.... |
370 | 6JKE | - | BUX | C13 H6 Cl2 N2 O4 | c1cc(cc(c1.... |
371 | 6MO7 | - | JWA | C19 H25 N3 O4 S | Cc1ccc(cc1.... |
372 | 6MO9 | - | JVY | C19 H21 N3 O3 S | Cc1c(c(on1.... |
373 | 3AQA | - | BYH | C17 H16 N4 S2 | CN1c2ccccc.... |
374 | 6K05 | Ki = 95.5 nM | CQF | C22 H21 Cl N6 | Cc1nnc2n1-.... |
375 | 5WUU | ic50 = 0.81 uM | 7UU | C18 H18 N2 O3 S | CN(CCCNC1=.... |
376 | 5N17 | Kd = 4.8 uM | 8FK | C19 H18 N2 O3 S | CN1c2ccc(c.... |
377 | 5N16 | Kd = 5 uM | 8FN | C22 H15 N5 O2 S | c1ccc2c(c1.... |
378 | 6VIZ | Ki = 120 nM | QYY | C27 H29 N3 O5 S | CCNC(=O)c1.... |
379 | 6VIW | Ki = 21.6 nM | QYV | C24 H21 F2 N3 O5 S | CCNC(=O)c1.... |
380 | 5XXH | ic50 = 6.8 uM | E0D | C18 H20 N2 O4 | CC(=O)c1cn.... |
381 | 5ML0 | - | P2L | C11 H17 Cl N4 O | CN1CCC[C@H.... |
382 | 5W0L | ic50 = 1.1 nM | 9UD | C27 H32 F2 N6 O2 | CC(=O)N1CC.... |
383 | 5W0F | ic50 = 16 nM | 9U7 | C25 H30 N6 O2 | CC(=O)N1CC.... |
384 | 5W0E | ic50 = 0.94 nM | 9U4 | C27 H33 F2 N7 O2 | CNC(=O)N1C.... |
385 | 5W0Q | ic50 = 18 uM | 9UG | C12 H16 N2 O2 | Cc1ccc2c(c.... |
386 | 5W0I | ic50 = 1.4 nM | 9UA | C26 H30 F2 N6 O2 | CC(=O)N1CC.... |
387 | 5VOM | ic50 = 0.79 uM | 9GY | C24 H23 N3 O4 | C[C@H]1CN(.... |
388 | 2RI7 | - | ALA ARG THR MLY GLN THR ALA ARG LYS | n/a | n/a |
389 | 6J3O | Kd = 2.4 uM | B4L | C13 H19 N5 O | CN1CCC[C@H.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MB3 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | HSL | 1.0000 |
2 | 4AX | 1.0000 |
3 | KSW | 1.0000 |
4 | MMZ | 1.0000 |
5 | 40O | 0.9992 |
6 | DTI | 0.9966 |
7 | 3ZQ | 0.9962 |
8 | DMI | 0.9907 |
9 | OXL | 0.9906 |
10 | CXL | 0.9901 |
11 | CYH | 0.9901 |
12 | CAQ | 0.9883 |
13 | HAI | 0.9879 |
14 | OXM | 0.9870 |
15 | FP2 | 0.9847 |
16 | 285 | 0.9846 |
17 | OXD | 0.9829 |
18 | IPH | 0.9825 |
19 | 76X | 0.9822 |
20 | 1AN | 0.9811 |
21 | L89 | 0.9805 |
22 | 938 | 0.9803 |
23 | 92Z | 0.9803 |
24 | 93Q | 0.9796 |
25 | JZ0 | 0.9796 |
26 | A2Q | 0.9793 |
27 | 8LG | 0.9792 |
28 | 4DX | 0.9786 |
29 | 2AF | 0.9785 |
30 | BEW | 0.9785 |
31 | PYR | 0.9783 |
32 | 2CH | 0.9778 |
33 | LAC | 0.9769 |
34 | OXE | 0.9766 |
35 | 7EX | 0.9764 |
36 | HTS | 0.9755 |
37 | H3M | 0.9753 |
38 | SER | 0.9746 |
39 | GOL | 0.9739 |
40 | 280 | 0.9716 |
41 | DSN | 0.9710 |
42 | LGA | 0.9710 |
43 | BAQ | 0.9704 |
44 | YAN | 0.9698 |
45 | DXX | 0.9694 |
46 | 2OP | 0.9689 |
47 | V1L | 0.9685 |
48 | 9PO | 0.9679 |
49 | 6X8 | 0.9674 |
50 | 2IM | 0.9672 |
51 | L60 | 0.9672 |
52 | 2RA | 0.9670 |
53 | MBN | 0.9669 |
54 | HGY | 0.9664 |
55 | 3AP | 0.9663 |
56 | HVK | 0.9662 |
57 | 2AP | 0.9662 |
58 | 93B | 0.9660 |
59 | HRZ | 0.9656 |
60 | DGY | 0.9655 |
61 | 03W | 0.9655 |
62 | ALA | 0.9650 |
63 | 1CB | 0.9647 |
64 | THR | 0.9643 |
65 | WOT | 0.9641 |
66 | 6SP | 0.9638 |
67 | 278 | 0.9632 |
68 | 4XX | 0.9623 |
69 | DUC | 0.9623 |
70 | A3B | 0.9621 |
71 | DBB | 0.9621 |
72 | 4AP | 0.9620 |
73 | ALQ | 0.9615 |
74 | GBL | 0.9615 |
75 | SMB | 0.9612 |
76 | NIS | 0.9610 |
77 | HYN | 0.9599 |
78 | HIU | 0.9594 |
79 | URA | 0.9594 |
80 | HBS | 0.9592 |
81 | NAK | 0.9591 |
82 | DAL | 0.9590 |
83 | ATQ | 0.9589 |
84 | 2KT | 0.9584 |
85 | HBR | 0.9584 |
86 | AMT | 0.9580 |
87 | 8CL | 0.9580 |
88 | HUI | 0.9580 |
89 | GXE | 0.9579 |
90 | 26D | 0.9578 |
91 | 3PY | 0.9568 |
92 | HPY | 0.9563 |
93 | XYS | 0.9560 |
94 | MZY | 0.9548 |
95 | TF4 | 0.9548 |
96 | PYM | 0.9544 |
97 | HHN | 0.9544 |
98 | 284 | 0.9535 |
99 | 3TR | 0.9534 |
100 | TTO | 0.9533 |
101 | CEJ | 0.9526 |
102 | 24T | 0.9520 |
103 | BNZ | 0.9509 |
104 | 0PY | 0.9506 |
105 | CRS | 0.9502 |
106 | RP7 | 0.9501 |
107 | B20 | 0.9500 |
108 | P1R | 0.9497 |
109 | CYT | 0.9497 |
110 | PIH | 0.9496 |
111 | GXV | 0.9495 |
112 | PHZ | 0.9493 |
113 | 3MT | 0.9488 |
114 | HGQ | 0.9488 |
115 | 39J | 0.9487 |
116 | HGW | 0.9487 |
117 | TMT | 0.9482 |
118 | 5Y9 | 0.9481 |
119 | XIX | 0.9475 |
120 | DTL | 0.9473 |
121 | BUO | 0.9472 |
122 | XYP | 0.9471 |
123 | LG3 | 0.9470 |
124 | TMZ | 0.9468 |
125 | IDH | 0.9467 |
126 | 8GF | 0.9463 |
127 | CIG | 0.9459 |
128 | JZ3 | 0.9457 |
129 | 1AC | 0.9456 |
130 | HOW | 0.9452 |
131 | 1XX | 0.9449 |
132 | 2MZ | 0.9448 |
133 | 5KX | 0.9446 |
134 | KG7 | 0.9446 |
135 | 2AI | 0.9446 |
136 | 5MP | 0.9444 |
137 | MR3 | 0.9439 |
138 | 1MZ | 0.9434 |
139 | 3GR | 0.9429 |
140 | 3ZS | 0.9425 |
141 | LG5 | 0.9421 |
142 | RSF | 0.9418 |
143 | CYS | 0.9416 |
144 | BVF | 0.9416 |
145 | DAB | 0.9414 |
146 | RCO | 0.9410 |
147 | C2N | 0.9406 |
148 | JZ6 | 0.9406 |
149 | 4MZ | 0.9398 |
150 | 286 | 0.9391 |
151 | DCY | 0.9389 |
152 | 3CH | 0.9388 |
153 | ECE | 0.9384 |
154 | R8A | 0.9379 |
155 | NK | 0.9375 |
156 | HEW | 0.9373 |
157 | NEQ | 0.9372 |
158 | JZ1 | 0.9372 |
159 | SYN | 0.9367 |
160 | R2B | 0.9366 |
161 | B3R | 0.9365 |
162 | YHO | 0.9362 |
163 | ES3 | 0.9360 |
164 | DMG | 0.9356 |
165 | M3T | 0.9355 |
166 | 25T | 0.9355 |
167 | 4H2 | 0.9345 |
168 | URF | 0.9337 |
169 | ABA | 0.9333 |
170 | BYZ | 0.9332 |
171 | MLI | 0.9332 |
172 | MZ0 | 0.9325 |
173 | LER | 0.9322 |
174 | ICC | 0.9322 |
175 | 6UA | 0.9319 |
176 | WBU | 0.9319 |
177 | 2DR | 0.9319 |
178 | HHQ | 0.9317 |
179 | MRY | 0.9313 |
180 | MLA | 0.9309 |
181 | BU4 | 0.9308 |
182 | 4CH | 0.9297 |
183 | 4JU | 0.9292 |
184 | 1DH | 0.9290 |
185 | TDR | 0.9290 |
186 | 2MH | 0.9288 |
187 | NVI | 0.9288 |
188 | ALO | 0.9285 |
189 | PYZ | 0.9280 |
190 | E60 | 0.9276 |
191 | 23W | 0.9276 |
192 | 3FA | 0.9274 |
193 | 3MC | 0.9269 |
194 | PYG | 0.9266 |
195 | 1PT | 0.9265 |
196 | FFP | 0.9264 |
197 | MEU | 0.9259 |
198 | J1Z | 0.9259 |
199 | A1U | 0.9257 |
200 | GMN | 0.9255 |
201 | FW5 | 0.9252 |
202 | AMC | 0.9249 |
203 | ICP | 0.9243 |
204 | MBD | 0.9242 |
205 | 6MH | 0.9242 |
206 | 3OH | 0.9241 |
207 | PYD | 0.9240 |
208 | TFB | 0.9237 |
209 | SGL | 0.9236 |
210 | 1AB | 0.9235 |
211 | 27Y | 0.9233 |
212 | 25R | 0.9231 |
213 | QOS | 0.9229 |
214 | 2C9 | 0.9228 |
215 | EDG | 0.9227 |
216 | FPY | 0.9224 |
217 | 2MY | 0.9223 |
218 | FLM | 0.9217 |
219 | 0R0 | 0.9214 |
220 | D2P | 0.9213 |
221 | FAH | 0.9212 |
222 | BR9 | 0.9211 |
223 | XYD | 0.9206 |
224 | 2CM | 0.9205 |
225 | MWJ | 0.9202 |
226 | 4JJ | 0.9202 |
227 | PCR | 0.9200 |
228 | 1MC | 0.9200 |
229 | 3CE | 0.9200 |
230 | HLT | 0.9199 |
231 | 4HO | 0.9197 |
232 | C5J | 0.9197 |
233 | MCT | 0.9196 |
234 | 5UC | 0.9193 |
235 | VAL | 0.9192 |
236 | 47J | 0.9192 |
237 | APY | 0.9191 |
238 | WDL | 0.9189 |
239 | 2AC | 0.9189 |
240 | 4CL | 0.9188 |
241 | XBZ | 0.9187 |
242 | MWM | 0.9186 |
243 | TM4 | 0.9184 |
244 | IQ0 | 0.9179 |
245 | HQE | 0.9178 |
246 | 4ZE | 0.9178 |
247 | MZG | 0.9178 |
248 | JZ2 | 0.9176 |
249 | PRI | 0.9172 |
250 | 5JC | 0.9171 |
251 | TM7 | 0.9171 |
252 | 0TR | 0.9170 |
253 | DA1 | 0.9164 |
254 | 275 | 0.9163 |
255 | ABN | 0.9163 |
256 | HAE | 0.9162 |
257 | 3MH | 0.9160 |
258 | AKB | 0.9156 |
259 | 1MR | 0.9155 |
260 | BML | 0.9154 |
261 | LG4 | 0.9152 |
262 | AX2 | 0.9151 |
263 | DUB | 0.9150 |
264 | GVH | 0.9150 |
265 | 282 | 0.9150 |
266 | 2HA | 0.9149 |
267 | BVG | 0.9149 |
268 | FPI | 0.9144 |
269 | 2MP | 0.9144 |
270 | KIV | 0.9142 |
271 | PXY | 0.9142 |
272 | PLQ | 0.9141 |
273 | 2YU | 0.9140 |
274 | HT4 | 0.9139 |
275 | 5MH | 0.9138 |
276 | 34A | 0.9138 |
277 | GLY | 0.9134 |
278 | 5ZE | 0.9134 |
279 | 3AY | 0.9133 |
280 | BAL | 0.9130 |
281 | MLM | 0.9128 |
282 | PYF | 0.9128 |
283 | 2ZX | 0.9127 |
284 | GOA | 0.9127 |
285 | GLV | 0.9126 |
286 | FPN | 0.9126 |
287 | MLT | 0.9125 |
288 | PYJ | 0.9124 |
289 | BVC | 0.9123 |
290 | 4HS | 0.9121 |
291 | 4JP | 0.9116 |
292 | MPI | 0.9116 |
293 | IND | 0.9110 |
294 | TH0 | 0.9110 |
295 | PY7 | 0.9109 |
296 | HBX | 0.9109 |
297 | Y8I | 0.9108 |
298 | 43M | 0.9108 |
299 | 13X | 0.9106 |
300 | 4JO | 0.9106 |
301 | LXC | 0.9101 |
302 | MAK | 0.9097 |
303 | AOA | 0.9096 |
304 | 4JN | 0.9088 |
305 | 9CL | 0.9088 |
306 | IOL | 0.9086 |
307 | F3V | 0.9084 |
308 | Z6J | 0.9082 |
309 | HVQ | 0.9081 |
310 | PPI | 0.9078 |
311 | IDM | 0.9078 |
312 | NIE | 0.9077 |
313 | 94N | 0.9075 |
314 | YTB | 0.9074 |
315 | 64K | 0.9073 |
316 | 0CT | 0.9071 |
317 | 2EZ | 0.9071 |
318 | NBE | 0.9068 |
319 | IUR | 0.9064 |
320 | 7CZ | 0.9062 |
321 | AHR | 0.9060 |
322 | NCM | 0.9057 |
323 | 5AN | 0.9055 |
324 | ASP | 0.9055 |
325 | BR8 | 0.9053 |
326 | DEN | 0.9053 |
327 | DCD | 0.9052 |
328 | TAY | 0.9049 |
329 | B24 | 0.9048 |
330 | RIB | 0.9047 |
331 | ARA | 0.9042 |
332 | LDU | 0.9040 |
333 | 0MK | 0.9032 |
334 | 12M | 0.9032 |
335 | BUQ | 0.9030 |
336 | ABE | 0.9028 |
337 | 61G | 0.9026 |
338 | ERH | 0.9024 |
339 | JZ9 | 0.9024 |
340 | ALF | 0.9023 |
341 | 2PC | 0.9023 |
342 | HSE | 0.9022 |
343 | TLD | 0.9017 |
344 | AKR | 0.9016 |
345 | SAR | 0.9011 |
346 | BZI | 0.9010 |
347 | PRO | 0.9008 |
348 | 0R1 | 0.9000 |
349 | 9YL | 0.8996 |
350 | BZF | 0.8995 |
351 | BUA | 0.8992 |
352 | P2D | 0.8991 |
353 | ARB | 0.8990 |
354 | DTU | 0.8989 |
355 | PPF | 0.8984 |
356 | PRS | 0.8984 |
357 | 5AC | 0.8984 |
358 | 2A1 | 0.8983 |
359 | F50 | 0.8982 |
360 | 192 | 0.8979 |
361 | J3K | 0.8978 |
362 | 9TY | 0.8976 |
363 | HY3 | 0.8973 |
364 | ICN | 0.8972 |
365 | BAE | 0.8970 |
366 | LZ1 | 0.8970 |
367 | 51F | 0.8965 |
368 | T2C | 0.8964 |
369 | R3W | 0.8962 |
370 | RIP | 0.8954 |
371 | OXQ | 0.8952 |
372 | PZO | 0.8951 |
373 | TRI | 0.8948 |
374 | OHG | 0.8948 |
375 | OXZ | 0.8940 |
376 | 2HE | 0.8940 |
377 | FUB | 0.8936 |
378 | CHT | 0.8935 |
379 | AZF | 0.8933 |
380 | HUH | 0.8932 |
381 | GBD | 0.8931 |
382 | NHY | 0.8930 |
383 | 6HQ | 0.8930 |
384 | IFM | 0.8928 |
385 | 9X7 | 0.8927 |
386 | IMD | 0.8927 |
387 | M2H | 0.8925 |
388 | GAG | 0.8925 |
389 | 7HP | 0.8924 |
390 | HVB | 0.8923 |
391 | DPR | 0.8922 |
392 | ADE | 0.8921 |
393 | AGU | 0.8918 |
394 | RUU | 0.8917 |
395 | H76 | 0.8916 |
396 | FOA | 0.8911 |
397 | AAE | 0.8910 |
398 | MMU | 0.8908 |
399 | SEJ | 0.8907 |
400 | HPA | 0.8896 |
401 | DFU | 0.8894 |
402 | JBN | 0.8891 |
403 | FUC | 0.8888 |
404 | FUF | 0.8886 |
405 | TCZ | 0.8881 |
406 | 60P | 0.8881 |
407 | 260 | 0.8880 |
408 | MGX | 0.8880 |
409 | ODV | 0.8878 |
410 | 2XX | 0.8868 |
411 | 3XX | 0.8864 |
412 | HCS | 0.8857 |
413 | SAL | 0.8857 |
414 | TAR | 0.8856 |
415 | PAV | 0.8855 |
416 | PYC | 0.8855 |
417 | FUL | 0.8854 |
418 | 9HX | 0.8853 |
419 | 69O | 0.8849 |
420 | C2A | 0.8847 |
421 | MZW | 0.8847 |
422 | FLA | 0.8845 |
423 | TSZ | 0.8839 |
424 | 3Z7 | 0.8839 |
425 | NMU | 0.8836 |
426 | SMV | 0.8836 |
427 | 9DA | 0.8833 |
428 | BRP | 0.8828 |
429 | 6MP | 0.8824 |
430 | DFB | 0.8820 |
431 | CIZ | 0.8815 |
432 | ES4 | 0.8814 |
433 | 265 | 0.8813 |
434 | O7U | 0.8812 |
435 | 3HR | 0.8812 |
436 | BTE | 0.8807 |
437 | BP9 | 0.8806 |
438 | CRN | 0.8805 |
439 | FYU | 0.8800 |
440 | JAB | 0.8798 |
441 | ITN | 0.8797 |
442 | 32O | 0.8793 |
443 | EGD | 0.8793 |
444 | FCA | 0.8790 |
445 | BP1 | 0.8787 |
446 | 10L | 0.8783 |
447 | TZE | 0.8783 |
448 | PM6 | 0.8782 |
449 | F05 | 0.8781 |
450 | AGK | 0.8778 |
451 | TZC | 0.8778 |
452 | IP0 | 0.8776 |
453 | ETF | 0.8775 |
454 | FPK | 0.8774 |
455 | JIF | 0.8770 |
456 | ASN | 0.8769 |
457 | NSP | 0.8768 |
458 | BE2 | 0.8764 |
459 | 7WA | 0.8761 |
460 | 150 | 0.8760 |
461 | ATO | 0.8759 |
462 | T6C | 0.8758 |
463 | 1DU | 0.8755 |
464 | FP1 | 0.8754 |
465 | HMH | 0.8752 |
466 | L3Q | 0.8751 |
467 | TCV | 0.8750 |
468 | 261 | 0.8748 |
469 | F81 | 0.8747 |
470 | 9EW | 0.8745 |
471 | 1LN | 0.8743 |
472 | ZZT | 0.8739 |
473 | F4Z | 0.8736 |
474 | 24B | 0.8735 |
475 | CP | 0.8731 |
476 | TLA | 0.8730 |
477 | VNJ | 0.8727 |
478 | TP5 | 0.8726 |
479 | JBE | 0.8724 |
480 | 1WG | 0.8722 |
481 | KYD | 0.8721 |
482 | 3U4 | 0.8720 |
483 | PBE | 0.8720 |
484 | 7MH | 0.8718 |
485 | 23A | 0.8716 |
486 | KPL | 0.8716 |
487 | SWD | 0.8711 |
488 | HV2 | 0.8711 |
489 | CP2 | 0.8709 |
490 | LMR | 0.8705 |
491 | 23B | 0.8704 |
492 | 4SV | 0.8703 |
493 | ES6 | 0.8703 |
494 | 6M4 | 0.8698 |
495 | 45C | 0.8698 |
496 | 1BP | 0.8688 |
497 | FCN | 0.8680 |
498 | BEN | 0.8679 |
499 | 2CQ | 0.8675 |
500 | BEZ | 0.8673 |
501 | TH7 | 0.8672 |
502 | FMS | 0.8670 |
503 | HMU | 0.8668 |
504 | PAE | 0.8667 |
505 | 3SK | 0.8666 |
506 | 4ZC | 0.8665 |
507 | HBA | 0.8665 |
508 | TC7 | 0.8662 |
509 | AUD | 0.8661 |
510 | 1WD | 0.8653 |
511 | JZ4 | 0.8649 |
512 | PAF | 0.8647 |
513 | GOO | 0.8646 |
514 | P3K | 0.8643 |
515 | NCA | 0.8642 |
516 | BXA | 0.8640 |
517 | 0RW | 0.8631 |
518 | JZ5 | 0.8630 |
519 | SVN | 0.8630 |
520 | 273 | 0.8626 |
521 | JKE | 0.8612 |
522 | HSW | 0.8608 |
523 | ZZ3 | 0.8608 |
524 | 4VP | 0.8597 |
525 | M58 | 0.8588 |
526 | 8H8 | 0.8586 |
527 | 6PC | 0.8583 |
528 | VGL | 0.8575 |
529 | NBZ | 0.8575 |
530 | PZA | 0.8571 |
531 | 35C | 0.8567 |
532 | 4JL | 0.8563 |
533 | C21 | 0.8542 |
534 | TBP | 0.8530 |
This union binding pocket(no: 1) in the query (biounit: 2ydw.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2ydw.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6GYT | GLY LEU GLY ALY GLY GLY ALA ALY ALA | 32.6797 |
This union binding pocket(no: 3) in the query (biounit: 2ydw.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6GYT | GLY LEU GLY ALY GLY GLY ALA ALY ALA | 32.6797 |
This union binding pocket(no: 4) in the query (biounit: 2ydw.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |