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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 10 families. | |||||
1 | 3GCV | Kd = 74 nM | SS6 | C29 H30 N8 O | Cc1cccc(c1.... |
2 | 3L8S | Kd = 99 nM | BFF | C20 H24 Br F2 N5 O3 S | c1c(cc(c(c.... |
3 | 3RIN | ic50 = 1.3 nM | I2O | C23 H24 N2 O2 | Cc1ccc(cc1.... |
4 | 5N65 | - | 8OT | C20 H18 N4 S | c1ccc(cc1).... |
5 | 4FA2 | - | SB0 | C20 H21 F N4 O2 | COc1nccc(n.... |
6 | 2GHM | - | LIC | C24 H28 Cl N5 O3 | C[C@@H](C(.... |
7 | 1W84 | ic50 = 35 uM | L12 | C15 H14 N2 | c1ccc2c(c1.... |
8 | 4EH5 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
9 | 2BAK | Kd = 37 nM | AQZ | C32 H37 N7 O4 | Cc1ccc(cc1.... |
10 | 3HV6 | ic50 = 5500 nM | R39 | C27 H35 N5 O3 | Cc1ccc(cc1.... |
11 | 3HP2 | - | P36 | C19 H16 Br N O2 | c1ccc(cc1).... |
12 | 1WBO | ic50 = 1 mM | 2CH | C6 H5 Cl O | c1ccc(c(c1.... |
13 | 4KIQ | ic50 = 23 nM | 1RA | C23 H23 N3 O4 | CCOC(=O)n1.... |
14 | 3GC7 | ic50 = 0.4 nM | B45 | C28 H27 Cl3 F N3 O | CC(C)N1CCC.... |
15 | 4EH6 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
16 | 5MTX | Kd = 17.7 nM | FJI | C34 H31 F N4 O5 | c1ccc(cc1).... |
17 | 2ZB0 | Ki = 0.24 uM | GK3 | C24 H18 N4 O2 | Cc1ccc(cc1.... |
18 | 2GTM | ic50 = 542 nM | LID | C19 H15 Cl F2 N6 | CCn1c2c(cn.... |
19 | 5N66 | - | B96 | C31 H37 N5 O3 | Cc1ccc(cc1.... |
20 | 2YIX | Kd = 3.3 nM | YIX | C19 H23 N5 O S | CCNC(=O)NC.... |
21 | 3OCG | ic50 = 3 nM | OCG | C21 H18 N6 O3 | Cc1ccc(cc1.... |
22 | 1BL7 | - | SB4 | C18 H19 F N6 | c1cc(ccc1c.... |
23 | 3P7C | ic50 = 0.022 uM | P7C | C25 H33 Cl2 N5 O3 S | CC(C)(C)c1.... |
24 | 5TBE | Kd = 4.4 nM | 78L | C33 H30 F2 N4 O4 S | c1cc(sc1)C.... |
25 | 4KIP | ic50 = 7 nM | 1R9 | C21 H18 Cl N3 O2 S | Cc1ccc(cc1.... |
26 | 2EWA | - | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
27 | 2GHL | - | LIB | C23 H26 Cl N5 O3 | C[C@@H](C(.... |
28 | 1ZZ2 | ic50 = 6 uM | B11 | C24 H26 F N3 O4 S | c1ccc(c(c1.... |
29 | 3ZSI | - | 52P | C19 H9 Cl2 F2 N3 O S | c1cc(c(c(c.... |
30 | 2YIW | - | YIW | C30 H33 N7 O S | CC(C)c1nnc.... |
31 | 5WJJ | ic50 = 5.4 nM | AQY | C25 H19 F N6 O2 | Cc1cc(ccc1.... |
32 | 1A9U | - | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
33 | 1M7Q | ic50 = 2.6 nM | DQO | C24 H20 Cl2 F2 N4 O | c1cc(c(c(c.... |
34 | 5MTY | Kd = 1.3 nM | HB9 | C29 H23 F2 N3 O4 S | c1cc(sc1)C.... |
35 | 4EH7 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
36 | 1YQJ | ic50 = 7.3 nM | 6NP | C30 H27 N5 | c1ccc(cc1).... |
37 | 4EH3 | - | NAR | C15 H12 O5 | c1cc(ccc1[.... |
38 | 4AA5 | ic50 = 6.7 nM | NQB | C24 H27 N5 O2 | Cc1ccc(cc1.... |
39 | 1OVE | ic50 = 0.74 nM | 358 | C26 H22 Cl2 F2 N2 O | c1cc(c(c(c.... |
40 | 3UVP | ic50 = 0.035 uM | 048 | C24 H21 F N2 O2 | c1ccc(cc1).... |
41 | 5N67 | - | 8ON | C28 H30 N6 O | CC(=O)N1CC.... |
42 | 3NNV | ic50 = 27 nM | 437 | C25 H26 N4 O2 | CC(C)(C)c1.... |
43 | 3CTQ | ic50 = 40 nM | 337 | C30 H34 N6 O5 S | Cc1ccc(cc1.... |
44 | 3IW7 | - | IPK | C26 H26 N4 O S | c1ccc(cc1).... |
45 | 3ITZ | ic50 = 1.4 nM | P66 | C21 H15 Cl F2 N6 O | c1cc(c(c(c.... |
46 | 2ZB1 | Ki = 0.48 uM | GK4 | C21 H21 N3 O2 | Cc1ccc(cc1.... |
47 | 3HV5 | ic50 = 150 nM | R24 | C30 H29 N7 O3 | Cc1ccc(cc1.... |
48 | 1WBW | ic50 = 44 uM | LI4 | C16 H14 N2 O | c1ccc2c(c1.... |
49 | 3P79 | ic50 = 2.3 uM | P79 | C24 H29 N5 O4 S | CC(C)(C)c1.... |
50 | 3HV7 | ic50 = 90 nM | 1AU | C24 H25 N5 O | CC(C)(C)c1.... |
51 | 3GFE | ic50 = 3.2 nM | P37 | C24 H21 F2 N5 O2 | Cc1ccc(cc1.... |
52 | 3ZYA | - | 2A8 | C21 H18 N2 O | c1ccc2c(c1.... |
53 | 2RG5 | ic50 = 3.1 nM | 279 | C19 H22 N6 O3 | CCNC(=O)c1.... |
54 | 3L8X | ic50 = 10 nM | N4D | C20 H18 N6 O | Cc1ccc(cc1.... |
55 | 3GCS | Kd = 56 nM | BAX | C21 H16 Cl F3 N4 O3 | CNC(=O)c1c.... |
56 | 3ZS5 | - | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
57 | 3D83 | Ki = 4.4 nM | GK6 | C28 H30 N4 O3 | Cc1ccc(cc1.... |
58 | 1YW2 | ic50 = 141 nM | PGJ | C22 H18 F N3 O5 | CCOC[N@]1C.... |
59 | 1W82 | ic50 = 196 nM | L10 | C20 H21 Cl N4 O | CC(C)(C)C1.... |
60 | 3ZSG | - | T75 | C24 H21 N3 O S | CCc1nc(c(s.... |
61 | 5TCO | Kd = 3.14 nM | 79Q | C35 H33 F N4 O4 | c1ccc(cc1).... |
62 | 4EH8 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
63 | 3GCP | Kd = 15 nM | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
64 | 3HLL | Ki = 0.0058 uM | I45 | C22 H19 Br F2 N2 O3 | Cc1ccc(cc1.... |
65 | 1ZZL | ic50 = 5 nM | TZY | C18 H15 F N4 O | CC(C)c1nnc.... |
66 | 2RG6 | ic50 = 2.2 nM | 287 | C25 H26 N6 O3 | Cc1ccc(cc1.... |
67 | 3MPT | ic50 = 0.25 uM | 1GK | C18 H16 N2 O3 | Cc1ccccc1C.... |
68 | 1BL6 | - | SB6 | C18 H16 F N3 | c1cc(ccc1c.... |
69 | 3NNW | ic50 = 9 nM | EDD | C22 H23 Cl2 N5 O2 | CC(C)(C)C1.... |
70 | 3GI3 | Kd < 1.8 nM | B10 | C33 H39 N5 O5 S | CC(C)(C)c1.... |
71 | 3K3J | - | I46 | C14 H9 F2 N3 | c1cc(ccc1c.... |
72 | 3HEC | ic50 = 70 uM | STI | C29 H31 N7 O | Cc1ccc(cc1.... |
73 | 1IAN | - | D13 | C21 H16 I N3 O S | C[S@@](=O).... |
74 | 3FC1 | - | 52P | C19 H9 Cl2 F2 N3 O S | c1cc(c(c(c.... |
75 | 3MVM | ic50 = 13 nM | 39P | C22 H23 N7 O3 | CCCNC(=O)c.... |
76 | 3NNU | ic50 = 48 nM | EDB | C22 H17 Cl2 N5 O2 S | c1cc(cc(c1.... |
77 | 1W7H | ic50 = 1 mM | 3IP | C12 H12 N2 O | c1ccc(cc1).... |
78 | 3U8W | ic50 = 1 nM | 09J | C24 H21 Cl F N5 O2 | CCN1C(=O)C.... |
79 | 1WBS | ic50 = 0.63 uM | LI2 | C26 H25 F N4 O2 | c1cc2c(cc1.... |
80 | 4E6C | Kd ~ 15 uM | 0O8 | C25 H53 N O4 P | CCCCCCCCCC.... |
81 | 5N68 | - | 8OK | C26 H27 N5 O | c1ccc(cc1).... |
82 | 1WBV | ic50 = 162 uM | LI3 | C19 H18 F N3 O2 | c1cc2c(cc[.... |
83 | 4EH2 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
84 | 3HA8 | - | 5JZ | C36 H38 N8 O5 | CCOc1nc(nc.... |
85 | 3HEG | ic50 = 0.057 uM | BAX | C21 H16 Cl F3 N4 O3 | CNC(=O)c1c.... |
86 | 2ZAZ | Ki = 0.4 uM | GK1 | C20 H15 N3 O2 S | Cc1ccc(cc1.... |
87 | 3HP5 | - | I46 | C14 H9 F2 N3 | c1cc(ccc1c.... |
88 | 5ML5 | ic50 = 10 nM | 1VI | C26 H25 F N4 O3 S | COc1ccc(c(.... |
89 | 4DLI | Kd = 2.4 uM | IRG | C17 H16 N4 | c1ccc(cc1).... |
90 | 3P78 | ic50 = 0.11 uM | P78 | C24 H27 N3 O4 S2 | CC(C)(C)c1.... |
91 | 4EH9 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
92 | 1YWR | ic50 = 32 nM | LI9 | C27 H29 F N6 O | C[C@@H](c1.... |
93 | 3IW5 | Kd = 0.839 uM | DF3 | C28 H24 F3 N3 O4 S | c1ccc2c(c1.... |
94 | 3HV3 | ic50 = 900 nM | R49 | C30 H31 N7 O | Cc1cccc(c1.... |
95 | 4A9Y | - | RNY | C32 H37 N7 O4 | Cc1ccc(cc1.... |
96 | 3GCU | - | R48 | C29 H30 N8 O | Cc1ccc(cc1.... |
97 | 1OUY | ic50 = 4.3 nM | 094 | C24 H18 Cl2 F2 N4 O S | c1cc(c(c(c.... |
98 | 3D7Z | Ki = 12 nM | GK5 | C22 H24 N2 O2 | Cc1ccc(cc1.... |
99 | 2YIS | - | YIS | C35 H34 Cl N7 O3 S2 | CC(C)(C)c1.... |
100 | 1OUK | ic50 = 0.13 nM | 084 | C28 H29 F3 N6 | C[C@@H](c1.... |
101 | 3BV2 | Ki = 0.44 nM | P38 | C33 H32 N8 O3 | Cc1ccc(cc1.... |
102 | 4R3C | - | GG5 | C14 H10 F N3 | c1cc(ccc1c.... |
103 | 4L8M | ic50 = 0.001 uM | F46 | C33 H30 F N3 O5 | c1ccc(cc1).... |
104 | 4E6A | - | 0O9 | C32 H65 O10 P | CCCCCCCCCC.... |
105 | 1WBN | ic50 = 0.35 uM | L09 | C20 H22 Cl N5 O2 | CC(C)(C)c1.... |
106 | 2QD9 | ic50 = 13 nM | LGF | C27 H24 F2 N6 O5 | COc1c(cc2c.... |
107 | 3HUC | Kd = 1030 nM | G97 | C20 H16 N6 O | C=CC(=O)Nc.... |
108 | 3HL7 | Ki = 0.023 uM | I47 | C20 H20 Cl N5 O2 | c1cc(ccc1c.... |
109 | 4EHV | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
110 | 2GTN | ic50 = 4 nM | LIE | C20 H16 F3 N5 O | CC(C)n1c2c.... |
111 | 3HRB | ic50 = 21 nM | I39 | C19 H14 F2 N2 O2 | Cc1ccccc1c.... |
112 | 3BX5 | ic50 = 1.5 nM | 304 | C17 H22 N4 O2 S | CC[C@@H](C.... |
113 | 3HVC | ic50 = 600 nM | GG5 | C14 H10 F N3 | c1cc(ccc1c.... |
114 | 2GFS | ic50 = 0.7 uM | PQB | C19 H18 F N3 O4 | c1cc(cc(c1.... |
115 | 5N63 | - | 8OW | C21 H17 F N4 | c1ccc(cc1).... |
116 | 2NPQ | Kd = 3.08 uM | BOG | C14 H28 O6 | CCCCCCCCO[.... |
117 | 3IW6 | Kd = 3.29 uM | PP0 | C23 H31 N3 O3 | CCn1c(c(c(.... |
118 | 3S4Q | ic50 = 4 nM | NK0 | C25 H23 N5 O2 | Cc1ccc(cc1.... |
119 | 2BAJ | Kd = 4 nM | 1PP | C20 H20 Cl2 N4 O | CC(C)(C)c1.... |
120 | 3ROC | - | 29B | C14 H10 F N3 | c1cc(ccc1c.... |
121 | 3NWW | ic50 = 7 nM | 3NW | C24 H34 N8 O S | CCNC(=O)NC.... |
122 | 1W83 | ic50 = 0.065 uM | L11 | C23 H25 Cl F N3 O3 | c1cc(cnc1).... |
123 | 3ZSH | - | 469 | C27 H30 Cl F N4 O3 | C[C@@H]1C[.... |
124 | 3IPH | Ki = 0.0000251 mM | G11 | C21 H23 N3 O2 | Cc1ccc(cc1.... |
125 | 5MZ3 | ic50 = 0.00021 uM | 8EN | C24 H19 F3 N4 O2 | Cc1ccc(cc1.... |
126 | 3P7B | ic50 = 0.018 uM | P7B | C25 H28 N4 O3 S | CC(C)(C)c1.... |
127 | 3GCQ | Kd = 342 nM | 1BU | C29 H30 N8 O | Cc1cccc(c1.... |
128 | 4F9Y | Ki = 184 nM | LM3 | C21 H18 N4 | CN(C)c1cc(.... |
129 | 2BAL | Kd = 490 nM | PQA | C21 H21 F N4 O2 | c1cc(cc(c1.... |
130 | 3HUB | Kd = 8.2 nM | 469 | C27 H30 Cl F N4 O3 | C[C@@H]1C[.... |
131 | 4F9W | Ki = 114 nM | LM4 | C21 H18 N4 | CN(C)c1cc(.... |
132 | 3P5K | ic50 = 0.076 uM | P5K | C24 H27 N3 O4 S2 | CC(C)(C)c1.... |
133 | 2I0H | ic50 = 9 nM | 222 | C27 H19 Cl2 F N4 O3 | c1ccc2c(c1.... |
134 | 1ZYJ | ic50 = 1.5 uM | BI5 | C19 H16 N2 O2 | c1ccc(cc1).... |
135 | 3K3I | - | JZJ | C18 H16 Br N3 | c1ccc2c(c1.... |
136 | 1WBT | ic50 = 0.34 uM | WBT | C26 H25 F N4 O2 | c1cc(cc2c1.... |
137 | 1BMK | - | SB5 | C17 H16 F N5 | c1cc(ccc1c.... |
138 | 3E92 | Ki = 10 nM | G6A | C21 H21 N3 O2 | Cc1ccc(cc1.... |
139 | 3P7A | ic50 = 0.52 uM | P7A | C23 H27 N3 O3 S2 | CC(C)(C)c1.... |
140 | 6ANL | ic50 = 240 nM | T75 | C24 H21 N3 O S | CCc1nc(c(s.... |
141 | 3NNX | ic50 = 11 nM | EDD | C22 H23 Cl2 N5 O2 | CC(C)(C)C1.... |
142 | 4EH4 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
143 | 1KV1 | Kd = 1.16 uM | BMU | C15 H19 Cl N4 O | CC(C)(C)c1.... |
144 | 3KF7 | ic50 = 40 nM | L9G | C22 H18 F2 N4 O | Cc1ccc(cc1.... |
145 | 4KIN | ic50 = 4.8 nM | 1M8 | C22 H19 Cl N2 O2 S | Cc1ccc(cc1.... |
146 | 4AA4 | ic50 = 9 nM | QC0 | C25 H25 N5 O3 | Cc1ccc(cc1.... |
147 | 5XYY | ic50 = 9.221 uM | P0F | C15 H12 Cl F N4 O | c1cc(cc(c1.... |
148 | 3E93 | Ki = 1.4 nM | 19B | C30 H32 N4 O3 | Cc1ccc(cc1.... |
149 | 4AAC | ic50 = 16 nM | AAV | C24 H24 N6 O3 | Cc1ccc(cc1.... |
150 | 4AA0 | ic50 = 35 nM | AA0 | C30 H33 N7 O3 | Cc1ccc(cc1.... |
151 | 1OZ1 | ic50 = 6.5 nM | FPH | C18 H12 F N3 O | c1cc2c(c(c.... |
152 | 5N64 | - | 8OH | C19 H16 N4 S | c1ccc(cc1).... |
153 | 3IW8 | Kd = 13.4 uM | HIZ | C19 H18 Cl F N4 O2 S | c1ccc(cc1).... |
154 | 3GC8 | - | B45 | C28 H27 Cl3 F N3 O | CC(C)N1CCC.... |
155 | 3GC9 | - | B45 | C28 H27 Cl3 F N3 O | CC(C)N1CCC.... |
156 | 4EYM | - | 0RX | C21 H20 N4 O3 | c1cc(ccc1N.... |
157 | 5EKO | ic50 = 15785 nM | N17 | C22 H18 N4 O2 | Cc1cn(cn1).... |
158 | 4EYJ | - | N61 | C20 H23 N5 O2 | CC(C)(C)c1.... |
159 | 1CM8 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 60 families. | |||||
1 | 4FBX | - | 0TJ GLY ASP ASP ASP ASP ASP | n/a | n/a |
2 | 5OUU | - | AWN | C22 H20 Cl N3 | c1ccc(cc1).... |
3 | 4RLL | - | E91 | C21 H14 N2 O2 | c1ccc2c(c1.... |
4 | 5CU4 | Kd = 0.32 uM | 54S | C26 H26 Cl N3 O4 | c1ccc(cc1).... |
5 | 4O6E | ic50 = 1 nM | 2SH | C21 H25 Cl F N5 O3 | c1cc(c(cc1.... |
6 | 5NHJ | ic50 < 0.0003 uM | 8XE | C18 H21 N7 O2 | Cn1c(ccn1).... |
7 | 4QYY | Kd = 0.05 uM | 3G7 | C25 H29 Cl N4 O4 | CC(=O)c1cc.... |
8 | 4I5H | Ki < 2 nM | G17 | C26 H21 F3 N4 O | Cc1ccc(cc1.... |
9 | 6G93 | ic50 = 11 nM | EU2 | C17 H17 Cl N4 O2 | c1cc2c(cc1.... |
10 | 4QTE | Kd = 0.084 uM | 390 | C24 H20 Cl2 F N5 O2 | Cc1cnc(nc1.... |
11 | 4XNE | - | TT4 | C8 H9 N5 | c1ccc(cc1).... |
12 | 3QYW | - | 6PB | C11 H8 Br N5 | c1cc(cc(c1.... |
13 | 5BUE | ic50 = 0.003 uM | 4V8 | C23 H21 N5 O | c1ccc(cc1).... |
14 | 6GE0 | ic50 = 2.1 nM | EVQ | C28 H30 Cl N5 O4 | C[C@H](c1c.... |
15 | 6G9N | ic50 = 3 nM | ESN | C29 H32 Cl N5 O4 | Cc1cccc(c1.... |
16 | 2Z7L | - | S91 | C20 H19 N5 O3 | Cc1cccc(c1.... |
17 | 4ZXT | - | CAQ | C6 H6 O2 | c1ccc(c(c1.... |
18 | 1WZY | ic50 = 0.56 uM | F29 | C21 H17 N7 | C=CCn1c2c(.... |
19 | 6DMG | - | EK6 | C27 H26 Cl2 F N5 O4 | CCOC(=O)CN.... |
20 | 5NHH | ic50 < 0.00113 uM | 8XH | C19 H25 N5 O3 | COCCN1CCc2.... |
21 | 6G9H | ic50 = 4 nM | ERW | C24 H30 Cl N5 O3 | CC(C)(C)N(.... |
22 | 4N4S | - | 2H1 | C25 H24 N6 O | Cc1cc(cc2c.... |
23 | 4QP8 | ic50 = 0.28 uM | 362 | C14 H10 N6 | c1cc(cnc1).... |
24 | 4QP4 | - | 36O | C11 H15 N5 | c1[nH]c2c(.... |
25 | 6G9D | ic50 = 4.3 nM | ER8 | C23 H28 Cl N5 O3 | CC(C)(C)NC.... |
26 | 6GJB | ic50 = 0.008 uM | F0H | C35 H34 Cl F N6 O4 | c1cc(c(cc1.... |
27 | 6G91 | ic50 = 3200 nM | EQW | C9 H12 Cl N3 O | c1c(cnc(n1.... |
28 | 6G8X | - | EQT | C7 H6 Cl N3 | c1cc2c(c(c.... |
29 | 6DCG | ic50 = 7 nM | G67 | C37 H41 N9 O3 S | CC(C)Oc1cc.... |
30 | 4QP9 | ic50 = 0.071 uM | 35X | C17 H16 N6 | CCCn1cc(cn.... |
31 | 5BVE | ic50 = 0.01 nM | 4VG | C25 H28 Cl N5 O3 | c1cc(cc(c1.... |
32 | 5KE0 | - | 6S9 | C20 H18 N6 O | Cc1cc(ccn1.... |
33 | 6CPW | ic50 = 5.6 nM | F8V | C35 H35 F N8 O2 S | CS[C@]1(CC.... |
34 | 4XOY | - | DX4 | C5 H5 N5 S | c1[nH]c2c(.... |
35 | 6G9K | - | ESK | C27 H28 Cl N5 O4 | c1ccc(cc1).... |
36 | 3QYZ | - | Z8B | C10 H11 Br N8 O3 | c1nc(c2c(n.... |
37 | 5BVF | ic50 = 0.19 nM | 4VJ | C25 H28 Cl N5 O3 | c1cc(cc(c1.... |
38 | 6G9M | ic50 = 7.9 nM | ESW | C28 H30 Cl N5 O3 | CC(C)(c1cc.... |
39 | 4XOZ | - | 620 | C15 H16 N6 O | c1ccc(cc1).... |
40 | 5HD7 | - | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
41 | 4XRJ | - | 620 | C15 H16 N6 O | c1ccc(cc1).... |
42 | 2OJJ | Ki = 0.002 uM | 82A | C22 H17 Cl2 F N4 O2 | c1cc(cc(c1.... |
43 | 4QTA | Kd = 0.013 uM | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
44 | 5NHO | ic50 < 0.0003 uM | 8XN | C20 H25 N7 O2 | Cc1cnc(nc1.... |
45 | 2OJG | Ki = 2.3 uM | 19A | C16 H16 N4 O | CN(C)C(=O).... |
46 | 4XP0 | - | 42A | C8 H5 N3 | c1cc2c(c[n.... |
47 | 4QP2 | Kd = 940 uM | 36R | C7 H5 Cl N2 O | c1cc2c(cc1.... |
48 | 5NHF | ic50 = 0.0012 uM | 8X5 | C23 H25 N5 O2 | c1ccc(cc1).... |
49 | 5BUJ | ic50 = 0.005 uM | 4VB | C16 H15 N5 O | c1cnccc1c2.... |
50 | 6G9J | ic50 = 4.1 nM | ERK | C27 H28 Cl N5 O3 | C[C@H](c1c.... |
51 | 5BUI | ic50 = 0.089 uM | 4V9 | C17 H15 F N4 | c1ccnc(c1).... |
52 | 4QP7 | ic50 = 5.9 uM | 363 | C9 H7 N5 | c1c[nH]c2c.... |
53 | 3ERK | ic50 = 18 uM | SB4 | C18 H19 F N6 | c1cc(ccc1c.... |
54 | 6GDQ | - | EVK | C21 H22 Cl2 N4 O2 | CC(C)Nc1cc.... |
55 | 5V60 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
56 | 1TVO | Ki = 0.14 uM | FRZ | C18 H13 N7 | c1ccc(cc1).... |
57 | 6G9A | ic50 = 21 nM | ESQ | C23 H28 Cl N5 O3 | c1cc2c(cc1.... |
58 | 5BVD | ic50 = 0.16 nM | 4VF | C24 H26 Cl N5 O3 | c1cc(cc(c1.... |
59 | 4ZZN | ic50 = 0.26 uM | CQ8 | C18 H21 Cl N4 O2 | CNC(=O)c1c.... |
60 | 3SA0 | - | NRA | C13 H8 O6 | c1c(cc2c(c.... |
61 | 4ERK | ic50 = 27 uM | OLO | C15 H18 N6 O | Cn1cnc2c1n.... |
62 | 6GJD | ic50 = 0.022 uM | F0E | C46 H55 N11 O5 | c1cnc(nc1).... |
63 | 5U6I | - | 81Y | C19 H22 N4 O2 | CC(C)Oc1cc.... |
64 | 5NHV | ic50 = 0.0028 uM | 8QB | C16 H19 N5 O2 | c1cnc(nc1c.... |
65 | 3I5Z | Ki = 2 nM | Z48 | C24 H23 N5 O2 | Cc1cnc(nc1.... |
66 | 4N0S | - | DHC | C9 H8 O4 | c1cc(c(cc1.... |
67 | 5NHP | ic50 = 0.023 uM | 8XK | C19 H23 N7 O2 | Cn1c(ccn1).... |
68 | 3I60 | Ki < 2 nM | E86 | C24 H22 Cl N5 O2 | Cc1cnc(nc1.... |
69 | 4XP2 | - | TT4 | C8 H9 N5 | c1ccc(cc1).... |
70 | 1PME | Ki = 0.76 nM | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
71 | 5NHL | ic50 < 0.0003 uM | 8XB | C20 H25 N7 O2 | Cc1cnc(nc1.... |
72 | 5HD4 | - | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
73 | 6G97 | ic50 = 4.2 nM | EQZ | C20 H23 Cl N4 O3 | COCCN1Cc2c.... |
74 | 6G92 | ic50 = 76000 nM | ERZ | C10 H13 N5 | Cc1cnc(nc1.... |
75 | 5K4I | ic50 = 3.1 nM | 6QB | C21 H18 Cl F N6 O2 | Cn1c(ccn1).... |
76 | 4FA2 | - | SB0 | C20 H21 F N4 O2 | COc1nccc(n.... |
77 | 2GHM | - | LIC | C24 H28 Cl N5 O3 | C[C@@H](C(.... |
78 | 1W84 | ic50 = 35 uM | L12 | C15 H14 N2 | c1ccc2c(c1.... |
79 | 4EH5 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
80 | 2BAK | Kd = 37 nM | AQZ | C32 H37 N7 O4 | Cc1ccc(cc1.... |
81 | 3HV6 | ic50 = 5500 nM | R39 | C27 H35 N5 O3 | Cc1ccc(cc1.... |
82 | 3HP2 | - | P36 | C19 H16 Br N O2 | c1ccc(cc1).... |
83 | 1WBO | ic50 = 1 mM | 2CH | C6 H5 Cl O | c1ccc(c(c1.... |
84 | 4KIQ | ic50 = 23 nM | 1RA | C23 H23 N3 O4 | CCOC(=O)n1.... |
85 | 3GC7 | ic50 = 0.4 nM | B45 | C28 H27 Cl3 F N3 O | CC(C)N1CCC.... |
86 | 4EH6 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
87 | 5MTX | Kd = 17.7 nM | FJI | C34 H31 F N4 O5 | c1ccc(cc1).... |
88 | 2ZB0 | Ki = 0.24 uM | GK3 | C24 H18 N4 O2 | Cc1ccc(cc1.... |
89 | 2GTM | ic50 = 542 nM | LID | C19 H15 Cl F2 N6 | CCn1c2c(cn.... |
90 | 5N66 | - | B96 | C31 H37 N5 O3 | Cc1ccc(cc1.... |
91 | 2YIX | Kd = 3.3 nM | YIX | C19 H23 N5 O S | CCNC(=O)NC.... |
92 | 3OCG | ic50 = 3 nM | OCG | C21 H18 N6 O3 | Cc1ccc(cc1.... |
93 | 1BL7 | - | SB4 | C18 H19 F N6 | c1cc(ccc1c.... |
94 | 3P7C | ic50 = 0.022 uM | P7C | C25 H33 Cl2 N5 O3 S | CC(C)(C)c1.... |
95 | 5TBE | Kd = 4.4 nM | 78L | C33 H30 F2 N4 O4 S | c1cc(sc1)C.... |
96 | 4KIP | ic50 = 7 nM | 1R9 | C21 H18 Cl N3 O2 S | Cc1ccc(cc1.... |
97 | 2EWA | - | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
98 | 2GHL | - | LIB | C23 H26 Cl N5 O3 | C[C@@H](C(.... |
99 | 1ZZ2 | ic50 = 6 uM | B11 | C24 H26 F N3 O4 S | c1ccc(c(c1.... |
100 | 3ZSI | - | 52P | C19 H9 Cl2 F2 N3 O S | c1cc(c(c(c.... |
101 | 2YIW | - | YIW | C30 H33 N7 O S | CC(C)c1nnc.... |
102 | 5WJJ | ic50 = 5.4 nM | AQY | C25 H19 F N6 O2 | Cc1cc(ccc1.... |
103 | 1A9U | - | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
104 | 1M7Q | ic50 = 2.6 nM | DQO | C24 H20 Cl2 F2 N4 O | c1cc(c(c(c.... |
105 | 5MTY | Kd = 1.3 nM | HB9 | C29 H23 F2 N3 O4 S | c1cc(sc1)C.... |
106 | 4EH7 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
107 | 1YQJ | ic50 = 7.3 nM | 6NP | C30 H27 N5 | c1ccc(cc1).... |
108 | 4EH3 | - | NAR | C15 H12 O5 | c1cc(ccc1[.... |
109 | 4AA5 | ic50 = 6.7 nM | NQB | C24 H27 N5 O2 | Cc1ccc(cc1.... |
110 | 1OVE | ic50 = 0.74 nM | 358 | C26 H22 Cl2 F2 N2 O | c1cc(c(c(c.... |
111 | 3UVP | ic50 = 0.035 uM | 048 | C24 H21 F N2 O2 | c1ccc(cc1).... |
112 | 5N67 | - | 8ON | C28 H30 N6 O | CC(=O)N1CC.... |
113 | 3NNV | ic50 = 27 nM | 437 | C25 H26 N4 O2 | CC(C)(C)c1.... |
114 | 3CTQ | ic50 = 40 nM | 337 | C30 H34 N6 O5 S | Cc1ccc(cc1.... |
115 | 3IW7 | - | IPK | C26 H26 N4 O S | c1ccc(cc1).... |
116 | 3ITZ | ic50 = 1.4 nM | P66 | C21 H15 Cl F2 N6 O | c1cc(c(c(c.... |
117 | 2ZB1 | Ki = 0.48 uM | GK4 | C21 H21 N3 O2 | Cc1ccc(cc1.... |
118 | 3HV5 | ic50 = 150 nM | R24 | C30 H29 N7 O3 | Cc1ccc(cc1.... |
119 | 1WBW | ic50 = 44 uM | LI4 | C16 H14 N2 O | c1ccc2c(c1.... |
120 | 3P79 | ic50 = 2.3 uM | P79 | C24 H29 N5 O4 S | CC(C)(C)c1.... |
121 | 3HV7 | ic50 = 90 nM | 1AU | C24 H25 N5 O | CC(C)(C)c1.... |
122 | 3GFE | ic50 = 3.2 nM | P37 | C24 H21 F2 N5 O2 | Cc1ccc(cc1.... |
123 | 3ZYA | - | 2A8 | C21 H18 N2 O | c1ccc2c(c1.... |
124 | 2RG5 | ic50 = 3.1 nM | 279 | C19 H22 N6 O3 | CCNC(=O)c1.... |
125 | 3L8X | ic50 = 10 nM | N4D | C20 H18 N6 O | Cc1ccc(cc1.... |
126 | 3GCS | Kd = 56 nM | BAX | C21 H16 Cl F3 N4 O3 | CNC(=O)c1c.... |
127 | 3ZS5 | - | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
128 | 3D83 | Ki = 4.4 nM | GK6 | C28 H30 N4 O3 | Cc1ccc(cc1.... |
129 | 1YW2 | ic50 = 141 nM | PGJ | C22 H18 F N3 O5 | CCOC[N@]1C.... |
130 | 1W82 | ic50 = 196 nM | L10 | C20 H21 Cl N4 O | CC(C)(C)C1.... |
131 | 3ZSG | - | T75 | C24 H21 N3 O S | CCc1nc(c(s.... |
132 | 5TCO | Kd = 3.14 nM | 79Q | C35 H33 F N4 O4 | c1ccc(cc1).... |
133 | 4EH8 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
134 | 3GCP | Kd = 15 nM | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
135 | 3HLL | Ki = 0.0058 uM | I45 | C22 H19 Br F2 N2 O3 | Cc1ccc(cc1.... |
136 | 1ZZL | ic50 = 5 nM | TZY | C18 H15 F N4 O | CC(C)c1nnc.... |
137 | 2RG6 | ic50 = 2.2 nM | 287 | C25 H26 N6 O3 | Cc1ccc(cc1.... |
138 | 3MPT | ic50 = 0.25 uM | 1GK | C18 H16 N2 O3 | Cc1ccccc1C.... |
139 | 1BL6 | - | SB6 | C18 H16 F N3 | c1cc(ccc1c.... |
140 | 3NNW | ic50 = 9 nM | EDD | C22 H23 Cl2 N5 O2 | CC(C)(C)C1.... |
141 | 3GI3 | Kd < 1.8 nM | B10 | C33 H39 N5 O5 S | CC(C)(C)c1.... |
142 | 3K3J | - | I46 | C14 H9 F2 N3 | c1cc(ccc1c.... |
143 | 3HEC | ic50 = 70 uM | STI | C29 H31 N7 O | Cc1ccc(cc1.... |
144 | 1IAN | - | D13 | C21 H16 I N3 O S | C[S@@](=O).... |
145 | 3FC1 | - | 52P | C19 H9 Cl2 F2 N3 O S | c1cc(c(c(c.... |
146 | 3MVM | ic50 = 13 nM | 39P | C22 H23 N7 O3 | CCCNC(=O)c.... |
147 | 3NNU | ic50 = 48 nM | EDB | C22 H17 Cl2 N5 O2 S | c1cc(cc(c1.... |
148 | 1W7H | ic50 = 1 mM | 3IP | C12 H12 N2 O | c1ccc(cc1).... |
149 | 3U8W | ic50 = 1 nM | 09J | C24 H21 Cl F N5 O2 | CCN1C(=O)C.... |
150 | 1WBS | ic50 = 0.63 uM | LI2 | C26 H25 F N4 O2 | c1cc2c(cc1.... |
151 | 4E6C | Kd ~ 15 uM | 0O8 | C25 H53 N O4 P | CCCCCCCCCC.... |
152 | 5N68 | - | 8OK | C26 H27 N5 O | c1ccc(cc1).... |
153 | 1WBV | ic50 = 162 uM | LI3 | C19 H18 F N3 O2 | c1cc2c(cc[.... |
154 | 4EH2 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
155 | 3HA8 | - | 5JZ | C36 H38 N8 O5 | CCOc1nc(nc.... |
156 | 3HEG | ic50 = 0.057 uM | BAX | C21 H16 Cl F3 N4 O3 | CNC(=O)c1c.... |
157 | 2ZAZ | Ki = 0.4 uM | GK1 | C20 H15 N3 O2 S | Cc1ccc(cc1.... |
158 | 3HP5 | - | I46 | C14 H9 F2 N3 | c1cc(ccc1c.... |
159 | 5ML5 | ic50 = 10 nM | 1VI | C26 H25 F N4 O3 S | COc1ccc(c(.... |
160 | 4DLI | Kd = 2.4 uM | IRG | C17 H16 N4 | c1ccc(cc1).... |
161 | 3P78 | ic50 = 0.11 uM | P78 | C24 H27 N3 O4 S2 | CC(C)(C)c1.... |
162 | 4EH9 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
163 | 1YWR | ic50 = 32 nM | LI9 | C27 H29 F N6 O | C[C@@H](c1.... |
164 | 3IW5 | Kd = 0.839 uM | DF3 | C28 H24 F3 N3 O4 S | c1ccc2c(c1.... |
165 | 3HV3 | ic50 = 900 nM | R49 | C30 H31 N7 O | Cc1cccc(c1.... |
166 | 4A9Y | - | RNY | C32 H37 N7 O4 | Cc1ccc(cc1.... |
167 | 3GCU | - | R48 | C29 H30 N8 O | Cc1ccc(cc1.... |
168 | 1OUY | ic50 = 4.3 nM | 094 | C24 H18 Cl2 F2 N4 O S | c1cc(c(c(c.... |
169 | 3D7Z | Ki = 12 nM | GK5 | C22 H24 N2 O2 | Cc1ccc(cc1.... |
170 | 2YIS | - | YIS | C35 H34 Cl N7 O3 S2 | CC(C)(C)c1.... |
171 | 1OUK | ic50 = 0.13 nM | 084 | C28 H29 F3 N6 | C[C@@H](c1.... |
172 | 3BV2 | Ki = 0.44 nM | P38 | C33 H32 N8 O3 | Cc1ccc(cc1.... |
173 | 4R3C | - | GG5 | C14 H10 F N3 | c1cc(ccc1c.... |
174 | 4L8M | ic50 = 0.001 uM | F46 | C33 H30 F N3 O5 | c1ccc(cc1).... |
175 | 4E6A | - | 0O9 | C32 H65 O10 P | CCCCCCCCCC.... |
176 | 1WBN | ic50 = 0.35 uM | L09 | C20 H22 Cl N5 O2 | CC(C)(C)c1.... |
177 | 2QD9 | ic50 = 13 nM | LGF | C27 H24 F2 N6 O5 | COc1c(cc2c.... |
178 | 3HUC | Kd = 1030 nM | G97 | C20 H16 N6 O | C=CC(=O)Nc.... |
179 | 3HL7 | Ki = 0.023 uM | I47 | C20 H20 Cl N5 O2 | c1cc(ccc1c.... |
180 | 4EHV | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
181 | 2GTN | ic50 = 4 nM | LIE | C20 H16 F3 N5 O | CC(C)n1c2c.... |
182 | 3HRB | ic50 = 21 nM | I39 | C19 H14 F2 N2 O2 | Cc1ccccc1c.... |
183 | 3BX5 | ic50 = 1.5 nM | 304 | C17 H22 N4 O2 S | CC[C@@H](C.... |
184 | 3HVC | ic50 = 600 nM | GG5 | C14 H10 F N3 | c1cc(ccc1c.... |
185 | 2GFS | ic50 = 0.7 uM | PQB | C19 H18 F N3 O4 | c1cc(cc(c1.... |
186 | 5N63 | - | 8OW | C21 H17 F N4 | c1ccc(cc1).... |
187 | 2NPQ | Kd = 3.08 uM | BOG | C14 H28 O6 | CCCCCCCCO[.... |
188 | 3IW6 | Kd = 3.29 uM | PP0 | C23 H31 N3 O3 | CCn1c(c(c(.... |
189 | 3S4Q | ic50 = 4 nM | NK0 | C25 H23 N5 O2 | Cc1ccc(cc1.... |
190 | 2BAJ | Kd = 4 nM | 1PP | C20 H20 Cl2 N4 O | CC(C)(C)c1.... |
191 | 3ROC | - | 29B | C14 H10 F N3 | c1cc(ccc1c.... |
192 | 3NWW | ic50 = 7 nM | 3NW | C24 H34 N8 O S | CCNC(=O)NC.... |
193 | 1W83 | ic50 = 0.065 uM | L11 | C23 H25 Cl F N3 O3 | c1cc(cnc1).... |
194 | 3ZSH | - | 469 | C27 H30 Cl F N4 O3 | C[C@@H]1C[.... |
195 | 3IPH | Ki = 0.0000251 mM | G11 | C21 H23 N3 O2 | Cc1ccc(cc1.... |
196 | 5MZ3 | ic50 = 0.00021 uM | 8EN | C24 H19 F3 N4 O2 | Cc1ccc(cc1.... |
197 | 3P7B | ic50 = 0.018 uM | P7B | C25 H28 N4 O3 S | CC(C)(C)c1.... |
198 | 3GCQ | Kd = 342 nM | 1BU | C29 H30 N8 O | Cc1cccc(c1.... |
199 | 4F9Y | Ki = 184 nM | LM3 | C21 H18 N4 | CN(C)c1cc(.... |
200 | 2BAL | Kd = 490 nM | PQA | C21 H21 F N4 O2 | c1cc(cc(c1.... |
201 | 3HUB | Kd = 8.2 nM | 469 | C27 H30 Cl F N4 O3 | C[C@@H]1C[.... |
202 | 4F9W | Ki = 114 nM | LM4 | C21 H18 N4 | CN(C)c1cc(.... |
203 | 3P5K | ic50 = 0.076 uM | P5K | C24 H27 N3 O4 S2 | CC(C)(C)c1.... |
204 | 2I0H | ic50 = 9 nM | 222 | C27 H19 Cl2 F N4 O3 | c1ccc2c(c1.... |
205 | 1ZYJ | ic50 = 1.5 uM | BI5 | C19 H16 N2 O2 | c1ccc(cc1).... |
206 | 3K3I | - | JZJ | C18 H16 Br N3 | c1ccc2c(c1.... |
207 | 1WBT | ic50 = 0.34 uM | WBT | C26 H25 F N4 O2 | c1cc(cc2c1.... |
208 | 1BMK | - | SB5 | C17 H16 F N5 | c1cc(ccc1c.... |
209 | 3E92 | Ki = 10 nM | G6A | C21 H21 N3 O2 | Cc1ccc(cc1.... |
210 | 3P7A | ic50 = 0.52 uM | P7A | C23 H27 N3 O3 S2 | CC(C)(C)c1.... |
211 | 6ANL | ic50 = 240 nM | T75 | C24 H21 N3 O S | CCc1nc(c(s.... |
212 | 3NNX | ic50 = 11 nM | EDD | C22 H23 Cl2 N5 O2 | CC(C)(C)C1.... |
213 | 4EH4 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
214 | 1KV1 | Kd = 1.16 uM | BMU | C15 H19 Cl N4 O | CC(C)(C)c1.... |
215 | 3KF7 | ic50 = 40 nM | L9G | C22 H18 F2 N4 O | Cc1ccc(cc1.... |
216 | 4KIN | ic50 = 4.8 nM | 1M8 | C22 H19 Cl N2 O2 S | Cc1ccc(cc1.... |
217 | 4AA4 | ic50 = 9 nM | QC0 | C25 H25 N5 O3 | Cc1ccc(cc1.... |
218 | 5XYY | ic50 = 9.221 uM | P0F | C15 H12 Cl F N4 O | c1cc(cc(c1.... |
219 | 3E93 | Ki = 1.4 nM | 19B | C30 H32 N4 O3 | Cc1ccc(cc1.... |
220 | 4AAC | ic50 = 16 nM | AAV | C24 H24 N6 O3 | Cc1ccc(cc1.... |
221 | 4AA0 | ic50 = 35 nM | AA0 | C30 H33 N7 O3 | Cc1ccc(cc1.... |
222 | 1OZ1 | ic50 = 6.5 nM | FPH | C18 H12 F N3 O | c1cc2c(c(c.... |
223 | 5N64 | - | 8OH | C19 H16 N4 S | c1ccc(cc1).... |
224 | 3IW8 | Kd = 13.4 uM | HIZ | C19 H18 Cl F N4 O2 S | c1ccc(cc1).... |
225 | 3TTI | ic50 = 0.006 uM | KBI | C21 H23 F3 N6 O2 | c1c(cc(c(c.... |
226 | 3TTJ | ic50 = 0.21 uM | JBI | C23 H23 F N6 O | COc1ccc(cc.... |
227 | 1JNK | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
228 | 3KVX | ic50 = 0.148 uM | FMY | C26 H27 F N8 O2 | c1cc(ccc1/.... |
229 | 4H39 | Kd = 0.8 uM | PRO LYS ARG PRO THR THR LEU ASN LEU PHE | n/a | n/a |
230 | 4AWI | ic50 = 1 uM | AQ2 | C21 H25 N3 O4 S2 | CC(C)c1cc2.... |
231 | 2O0U | ic50 = 3.2 uM | C0M | C27 H28 N4 O2 S | c1ccc2c(c1.... |
232 | 2P33 | ic50 = 57 nM | J07 | C20 H23 Cl N6 O | CCNC(=O)N1.... |
233 | 2ZDU | - | 446 | C28 H23 Br N2 O6 | COC(=O)C1=.... |
234 | 2B1P | ic50 = 3 nM | AIZ | C26 H26 Cl N5 O3 | CN(C)CCCC(.... |
235 | 2OK1 | Ki = 0.55 uM | 33A | C21 H17 Cl N4 O | c1ccc(cc1).... |
236 | 3OXI | ic50 = 2.2 uM | SYY | C12 H11 N O3 S2 | COC(=O)c1c.... |
237 | 3OY1 | ic50 = 0.016 uM | 589 | C28 H31 N5 O2 | c1ccc2cc(c.... |
238 | 6EMH | ic50 = 833 nM | BGE | C19 H21 N5 O | Cc1c([nH]c.... |
239 | 2ZDT | - | 46C | C26 H20 Cl N O4 | CCC(=O)C1=.... |
240 | 3ELJ | - | GS7 | C22 H21 F N6 O4 S | COc1cc(ccc.... |
241 | 3FI2 | ic50 = 0.025 uM | JK1 | C26 H25 N5 O5 | COc1cc(cc(.... |
242 | 4L7F | ic50 = 160 nM | 1V5 | C26 H26 F N5 O2 | c1cc(ccc1C.... |
243 | 6EQ9 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
244 | 2WAJ | ic50 = 0.398 uM | SNB | C16 H13 Br Cl N O | COc1cc2c(c.... |
245 | 4QTD | ic50 = 1080 nM | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
246 | 6EKD | ic50 = 184 nM | B9K | C20 H23 N5 O S | Cc1c([nH]c.... |
247 | 3G9L | Ki = 0.74 uM | J67 | C25 H19 F N2 O4 | c1ccc(cc1).... |
248 | 4Y46 | ic50 = 11 nM | 4F2 | C22 H32 N6 O2 | CC(C)NC(=O.... |
249 | 1PMN | ic50 = 7.1 nM | 984 | C25 H30 Cl2 N6 | CCCn1c(c(n.... |
250 | 3FI3 | ic50 = 12 nM | JK2 | C29 H25 F N4 O4 | COc1cc(cc(.... |
251 | 2O2U | ic50 = 4 uM | 738 | C16 H13 F N2 O S | c1ccc(c(c1.... |
252 | 4W4V | ic50 = 866 nM | 3H8 | C23 H19 Cl N6 O2 | Cc1cc(ccn1.... |
253 | 3DA6 | - | BZ9 | C28 H23 N7 O | Cc1cc(c2cc.... |
254 | 2R9S | ic50 = 0.15 uM | 255 | C24 H24 N4 O2 S | CC(C)(C)NS.... |
255 | 4Y5H | ic50 = 15 nM | 519 | C20 H30 N6 O2 | CC(C)NC(=O.... |
256 | 4X21 | Kd = 36 nM | 3WH | C20 H23 I N6 O | CCNC(=O)N1.... |
257 | 3RTP | ic50 = 7 nM | 34I | C18 H14 N6 O2 S | c1ccc2c(c1.... |
258 | 3PZE | - | CFK | C12 H11 N3 O2 S | c1ccc(cc1).... |
259 | 4Z9L | ic50 = 1.6 nM | 880 | C27 H34 Cl2 N6 | CCCn1c(c(n.... |
260 | 4WHZ | ic50 < 1 nM | 3NL | C24 H23 Cl N8 O2 | c1ccc(c(c1.... |
261 | 4W4Y | ic50 = 3034 nM | 3HQ | C24 H22 N6 O2 | Cc1ccc(cc1.... |
262 | 4W4W | ic50 = 6630 nM | 3HJ | C23 H20 N6 O2 | Cc1cc(ccn1.... |
263 | 3G90 | Ki = 0.44 uM | J72 | C17 H12 F2 N2 O4 | c1cc2c(cc1.... |
264 | 1PMV | ic50 = 150 nM | 537 | C14 H8 N2 O | c1ccc2c(c1.... |
265 | 3GC8 | - | B45 | C28 H27 Cl3 F N3 O | CC(C)N1CCC.... |
266 | 3GC9 | - | B45 | C28 H27 Cl3 F N3 O | CC(C)N1CCC.... |
267 | 2PVH | Ki = 0.26 uM | P19 | C17 H14 N6 | c1ccc(cc1).... |
268 | 5BYZ | ic50 = 0.042 uM | 4WE | C25 H32 F N7 O | Cc1ncc(n1C.... |
269 | 4ZSJ | ic50 = 2.3 uM | 4R0 | C13 H17 Cl N6 O | Cc1cc(ccc1.... |
270 | 4ZSG | - | 4QX | C12 H15 Cl N6 O | CC(C)NC(=O.... |
271 | 2F9G | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
272 | 2B9F | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
273 | 5AWM | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
274 | 4EYM | - | 0RX | C21 H20 N4 O3 | c1cc(ccc1N.... |
275 | 5EKO | ic50 = 15785 nM | N17 | C22 H18 N4 O2 | Cc1cn(cn1).... |
276 | 4EYJ | - | N61 | C20 H23 N5 O2 | CC(C)(C)c1.... |
277 | 1CM8 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
278 | 4QTB | Kd = 0.084 uM | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
279 | 2ZOQ | ic50 = 0.9 uM | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
280 | 3NPC | - | B96 | C31 H37 N5 O3 | Cc1ccc(cc1.... |
281 | 3E7O | ic50 = 120 nM | 35F | C20 H14 N6 O2 | c1cc(cc(c1.... |
This union binding pocket(no: 1) in the query (biounit: 1ouk.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4WG0 | CHD | None |
2 | 1UO5 | PIH | None |
3 | 6E2B | PT7 | None |
4 | 5ZCT | ANP | 1.30719 |
5 | 1YKD | CMP | 1.36612 |
6 | 6ENO | BJ8 | 1.36612 |
7 | 5GLT | BGC GAL NAG GAL | 1.40845 |
8 | 3AQT | RCO | 1.63265 |
9 | 4GYI | ADP | 1.63934 |
10 | 1ZED | PNP | 1.63934 |
11 | 1ON3 | DXX | 1.63934 |
12 | 3OV6 | MK0 | 1.63934 |
13 | 4I90 | CHT | 1.65016 |
14 | 5IGI | GMP | 1.66113 |
15 | 1KDK | DHT | 1.69492 |
16 | 5UGW | GSH | 1.71429 |
17 | 2MSB | NAG BMA MAN MAN MAN MAN MAN | 1.73913 |
18 | 1J49 | NAD | 1.8018 |
19 | 3PDT | ADP | 1.81818 |
20 | 1GSA | ADP | 1.89873 |
21 | 1VRP | ADP | 1.91257 |
22 | 5FPE | 3TR | 1.91257 |
23 | 3WVR | AMP | 1.91257 |
24 | 3ORQ | ADP | 1.91257 |
25 | 3AKI | AH8 | 1.91257 |
26 | 1WS1 | BB2 | 1.92308 |
27 | 5DKK | FMN | 2.06897 |
28 | 4XMF | HSM | 2.17391 |
29 | 4ARU | TLA | 2.18579 |
30 | 3DNT | ATP | 2.18579 |
31 | 5KR7 | 6X9 | 2.18579 |
32 | 5IM3 | DTP | 2.18579 |
33 | 3G5K | BB2 | 2.18579 |
34 | 4F97 | GDP | 2.18579 |
35 | 4KVL | PLM | 2.18579 |
36 | 5VM6 | 9EG | 2.18978 |
37 | 2GTF | P1R | 2.22222 |
38 | 4YBN | FAD | 2.23214 |
39 | 4OUC | 5ID | 2.2409 |
40 | 6G34 | 5ID | 2.2409 |
41 | 2FUE | M1P | 2.29008 |
42 | 2I6A | 5I5 | 2.31884 |
43 | 2GWH | PCI | 2.34899 |
44 | 2ZL7 | FUC GAL NGA | 2.37288 |
45 | 2RDE | C2E | 2.39044 |
46 | 3ZJX | BOG | 2.42215 |
47 | 4IPH | 1FJ | 2.43902 |
48 | 4RD0 | GDP | 2.45902 |
49 | 3R9C | ECL | 2.45902 |
50 | 3A06 | FOM | 2.45902 |
51 | 2ORO | 228 | 2.45902 |
52 | 3T1A | 5MA | 2.45902 |
53 | 3DLG | GWE | 2.45902 |
54 | 4ZGS | NAD | 2.45902 |
55 | 1IA9 | ANP | 2.5 |
56 | 2OG2 | MLI | 2.50696 |
57 | 5M42 | FMN | 2.50896 |
58 | 5KY9 | GDP | 2.53521 |
59 | 4C5N | ACP | 2.53623 |
60 | 2Z3U | CRR | 2.58824 |
61 | 4RDL | FUC GAL NDG FUC | 2.5974 |
62 | 5IJJ | I6P | 2.60417 |
63 | 5M36 | 9SZ | 2.62009 |
64 | 1CX4 | CMP | 2.62295 |
65 | 3KYG | 5GP 5GP | 2.64317 |
66 | 6H8S | FSZ | 2.65781 |
67 | 5FLJ | QUE | 2.68817 |
68 | 2G30 | ALA ALA PHE | 2.71318 |
69 | 5I35 | ANP | 2.73224 |
70 | 5OES | ADP | 2.73224 |
71 | 2VQD | AP2 | 2.73224 |
72 | 3K5I | ADP | 2.73224 |
73 | 3A16 | PXO | 2.73224 |
74 | 2V58 | LZJ | 2.73224 |
75 | 6GBV | FMN | 2.73973 |
76 | 5DYO | FLU | 2.75229 |
77 | 1Q6O | LG6 | 2.77778 |
78 | 4O4F | ATP | 2.82258 |
79 | 4O4F | IHP | 2.82258 |
80 | 2XG5 | EC5 | 2.89017 |
81 | 2XG5 | EC2 | 2.89017 |
82 | 1I7L | ATP | 2.91262 |
83 | 2HJ4 | PNZ | 2.96296 |
84 | 2DC1 | NAD | 2.9661 |
85 | 3B9Q | MLI | 2.98013 |
86 | 5YJS | SAL | 3.00546 |
87 | 2VAT | COA | 3.00546 |
88 | 5J75 | 6GQ | 3.0303 |
89 | 3THR | C2F | 3.07167 |
90 | 3SAO | DBH | 3.125 |
91 | 2Q8E | OGA | 3.125 |
92 | 5OCG | 9R5 | 3.1746 |
93 | 3RGA | LSB | 3.18021 |
94 | 5GG9 | 8GM | 3.21637 |
95 | 4O4Z | N2O | 3.24675 |
96 | 4ZS4 | ATP | 3.25733 |
97 | 3E7S | AT2 | 3.27869 |
98 | 4CU1 | 71S | 3.27869 |
99 | 1R6N | 434 | 3.31754 |
100 | 3ETH | ATP | 3.38028 |
101 | 5UC9 | MYR | 3.53982 |
102 | 2PUL | ACP | 3.55191 |
103 | 5MW8 | ATP | 3.55191 |
104 | 1EHI | ADP | 3.55191 |
105 | 4MOB | ADP | 3.61446 |
106 | 3EXS | 5RP | 3.61991 |
107 | 3OF1 | CMP | 3.65854 |
108 | 3EUF | BAU | 3.65854 |
109 | 2Z9I | GLY ALA THR VAL | 3.7037 |
110 | 3ACL | 3F1 | 3.71622 |
111 | 5NM7 | GLY | 3.7594 |
112 | 5F6U | 5VK | 3.82166 |
113 | 5YK1 | ANP | 3.82514 |
114 | 4WOE | ADP | 3.82514 |
115 | 4CJN | QNZ | 3.82514 |
116 | 4DXD | 9PC | 3.82514 |
117 | 4V3I | ASP LEU THR ARG PRO | 3.89105 |
118 | 5LX9 | OLB | 3.90879 |
119 | 5GZ9 | ANP | 3.93443 |
120 | 1TZD | ADP | 4 |
121 | 4DFU | QUE | 4.03727 |
122 | 5C4L | SIS | 4.04984 |
123 | 3UDZ | ADP | 4.09836 |
124 | 5HV7 | RBL | 4.09836 |
125 | 2YW2 | ATP | 4.09836 |
126 | 4PU5 | ANP | 4.09836 |
127 | 2YBQ | SAH | 4.10959 |
128 | 1W2D | ADP | 4.15094 |
129 | 1W2D | 4IP | 4.15094 |
130 | 5DCH | 1YO | 4.16667 |
131 | 5OGX | FAD | 4.16667 |
132 | 1GQG | DCD | 4.28571 |
133 | 4R38 | RBF | 4.28571 |
134 | 3TAY | MN0 | 4.29448 |
135 | 3OCP | CMP | 4.31655 |
136 | 4XYM | A12 | 4.34783 |
137 | 6FL8 | TIY | 4.37158 |
138 | 6FL8 | ADP | 4.37158 |
139 | 4PAB | THG | 4.37158 |
140 | 4RT1 | C2E | 4.46429 |
141 | 1FWV | SGA MAG FUC | 4.47761 |
142 | 2PR5 | FMN | 4.54545 |
143 | 5HWV | MBN | 4.61538 |
144 | 1QD1 | FON | 4.61538 |
145 | 5FI4 | 5XV | 4.64481 |
146 | 1I1E | DM2 | 4.64481 |
147 | 3TPV | ADE | 4.64481 |
148 | 5DMZ | ADP | 4.65753 |
149 | 4RHP | PEF | 4.68085 |
150 | 2W5P | CL8 | 4.69799 |
151 | 3KYF | 5GP 5GP | 4.7619 |
152 | 3SE5 | ANP | 4.87805 |
153 | 1PK8 | ATP | 4.91803 |
154 | 1LSH | PLD | 4.91803 |
155 | 2VWA | PTY | 4.9505 |
156 | 1M2Z | BOG | 5.05837 |
157 | 2GQS | C2R | 5.06329 |
158 | 6BR8 | PGV | 5.15873 |
159 | 3T4L | ZEA | 5.18518 |
160 | 1MJT | ITU | 5.18732 |
161 | 5USZ | SKE | 5.19031 |
162 | 3Q60 | ATP | 5.19126 |
163 | 3JU6 | ANP | 5.19126 |
164 | 5MRH | Q9Z | 5.19126 |
165 | 3MF2 | AMP | 5.20231 |
166 | 4DR9 | BB2 | 5.20833 |
167 | 1OBD | ATP | 5.22876 |
168 | 2XZ9 | PYR | 5.24691 |
169 | 1L6O | SER LEU LYS LEU MET THR THR VAL | 5.26316 |
170 | 6CS8 | F9Y | 5.28053 |
171 | 4Q9M | 2ZW | 5.28455 |
172 | 4X9X | OLA | 5.35117 |
173 | 1SDW | IYT | 5.41401 |
174 | 1ZTH | ADP | 5.42636 |
175 | 1ZP9 | ATP | 5.42636 |
176 | 3RE4 | TO1 | 5.42636 |
177 | 4U8P | UDP | 5.46448 |
178 | 2PYW | ADP | 5.46448 |
179 | 5TDF | ADP | 5.46448 |
180 | 5UL4 | SAM | 5.46448 |
181 | 4NOS | ITU | 5.46448 |
182 | 6CC0 | EWM | 5.48523 |
183 | 1KGI | T4A | 5.51181 |
184 | 5OCA | 9QZ | 5.55556 |
185 | 1BC5 | ACE ASN TRP GLU THR PHE | 5.57621 |
186 | 1F52 | ADP | 5.7377 |
187 | 1ELI | PYC | 5.7377 |
188 | 6FA4 | D1W | 5.78035 |
189 | 1AUX | AGS | 5.78778 |
190 | 3N1S | 5GP | 5.88235 |
191 | 2X6T | NAP | 5.88235 |
192 | 1UUY | PPI | 5.98802 |
193 | 4YVN | EBS | 6.01093 |
194 | 2O1V | ADP | 6.01093 |
195 | 1A5Z | FBP | 6.01093 |
196 | 4UWH | JXM | 6.01093 |
197 | 1XMY | ROL | 6.01093 |
198 | 1F9V | ADP | 6.05187 |
199 | 1WMA | AB3 | 6.15942 |
200 | 3NOJ | PYR | 6.30252 |
201 | 3X01 | AMP | 6.36132 |
202 | 5EJL | C2E | 6.45161 |
203 | 2YKL | NLD | 6.48148 |
204 | 3O01 | DXC | 6.49351 |
205 | 3TDV | GDP | 6.53595 |
206 | 4O1P | ANP | 6.55738 |
207 | 4OCV | ANP | 6.55738 |
208 | 3B6R | ADP | 6.55738 |
209 | 1U6R | ADP | 6.55738 |
210 | 3CBC | DBS | 6.56566 |
211 | 6ACS | CIT | 6.58915 |
212 | 3VPC | ADP | 6.73759 |
213 | 3VPB | ADP | 6.73759 |
214 | 5V4R | MGT | 6.79012 |
215 | 4OAV | ACP | 6.8306 |
216 | 5G48 | 1FL | 6.8306 |
217 | 4IAW | LIZ | 6.91489 |
218 | 4MVK | ACE VAL PHE PHE ALA GLU ASP NH2 | 6.91489 |
219 | 5H9P | TD2 | 6.96203 |
220 | 5KJW | 53C | 7.10383 |
221 | 4K55 | H6P | 7.25806 |
222 | 5H9Y | BGC BGC BGC BGC | 7.37705 |
223 | 3UXL | CFI | 7.37705 |
224 | 1NE6 | SP1 | 7.42049 |
225 | 5DQ8 | FLF | 7.5 |
226 | 6CGD | AKN | 7.54098 |
227 | 6CGD | GNP | 7.54098 |
228 | 4BG4 | ADP | 7.58427 |
229 | 4RF7 | ARG | 7.65027 |
230 | 3I0O | ADP | 7.66962 |
231 | 4Y24 | TD2 | 7.79221 |
232 | 4WGF | HX2 | 7.80488 |
233 | 4O9S | 2RY | 7.90698 |
234 | 4U98 | ACP | 7.9235 |
235 | 1PJ6 | FOL | 7.9235 |
236 | 5MTE | BB2 | 8.0292 |
237 | 5D9G | GLU ASN LEU TYR PHE GLN | 8.13008 |
238 | 1LNM | DTX | 8.15217 |
239 | 1TQP | ATP | 8.15603 |
240 | 4R78 | AMP | 8.19672 |
241 | 1B7Y | FYA | 8.19672 |
242 | 1W6P | NDG GAL | 8.20895 |
243 | 5LXT | ACP | 8.46994 |
244 | 6DW2 | HD4 | 8.62745 |
245 | 1NYW | DAU | 8.62944 |
246 | 1DZK | PRZ | 8.9172 |
247 | 2WOR | 2AN | 9 |
248 | 5VZ0 | ADP | 9.01639 |
249 | 4RYV | ZEA | 9.03226 |
250 | 4WW7 | AMP | 9.1954 |
251 | 5W7B | MYR | 9.21986 |
252 | 1NU4 | MLA | 9.27835 |
253 | 4PYA | 2X3 | 9.31677 |
254 | 4FE2 | AIR | 9.41177 |
255 | 4LRJ | ANP | 9.46746 |
256 | 3QXV | MTX | 9.52381 |
257 | 5AE9 | OKO | 9.56284 |
258 | 1M0W | ANP | 9.56284 |
259 | 6HQD | SRT | 9.56284 |
260 | 6EZ6 | C5Z | 9.56284 |
261 | 6CDO | ALA VAL GLY ILE GLY ALA VAL PHE | 9.56522 |
262 | 4Q5H | ANP | 9.61539 |
263 | 4OGQ | 2WD | 9.67742 |
264 | 4OGQ | UMQ | 9.67742 |
265 | 3HAV | ATP | 9.699 |
266 | 6BXO | SAH | 9.78593 |
267 | 4NTO | 1PW | 10.1449 |
268 | 3MG9 | GHP 3MY 3FG GHP GHP OMY 3FG | 10.2041 |
269 | 5Y4R | C2E | 10.5442 |
270 | 3KP6 | SAL | 10.596 |
271 | 3WG3 | A2G GAL NAG FUC | 10.6742 |
272 | 5A96 | GTP | 10.8434 |
273 | 6GNO | XDI | 11.1111 |
274 | 6AC9 | ANP | 11.2022 |
275 | 6C1S | EFV | 11.2022 |
276 | 2RH1 | CAU | 11.2022 |
277 | 2BKK | ADP | 11.2426 |
278 | 5C03 | AGS | 11.4035 |
279 | 2VDF | OCT | 11.4625 |
280 | 4CYI | ATP | 11.7486 |
281 | 3E2M | E2M | 11.8919 |
282 | 3CF6 | SP1 | 11.976 |
283 | 1S17 | GNR | 12.2222 |
284 | 4WOV | 3SM | 12.3028 |
285 | 3RV5 | DXC | 12.3596 |
286 | 5O1I | 9GH | 12.7854 |
287 | 1GT4 | UNA | 13.8365 |
288 | 1GEG | GLC | 14.8438 |
289 | 4FL3 | ANP | 15.0273 |
290 | 5K2M | ADP | 15.0943 |
291 | 5M06 | ADP | 15.2174 |
292 | 3AKK | ADP | 15.3846 |
293 | 5CKW | ANP | 15.5738 |
294 | 2HO2 | PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU | 15.7895 |
295 | 2PZI | AXX | 15.847 |
296 | 5VNF | VAL THR SER VAL VAL | 15.9236 |
297 | 3H0L | ADP | 15.9574 |
298 | 2GC0 | PAN | 16.4894 |
299 | 5KEW | 6SB | 17.0213 |
300 | 5Z84 | CHD | 17.3913 |
301 | 5ZCO | CHD | 17.3913 |
302 | 3VHE | 42Q | 17.8273 |
303 | 2AGC | DAO | 18.5185 |
304 | 1G27 | BB1 | 19.0476 |
305 | 3SRV | S19 | 19.8556 |
306 | 2Y69 | CHD | 20 |
307 | 4F4P | 0SB | 20.1465 |
308 | 4WQM | FAD | 20.2454 |
309 | 3KMW | ATP | 20.6642 |
310 | 3PNA | CMP | 20.7792 |
311 | 4XH0 | ADP | 21.3115 |
312 | 5WNL | STU | 21.345 |
313 | 5VC5 | 96M | 21.4533 |
314 | 6ES0 | BW8 | 22.3975 |
315 | 4Y0X | ADP | 23.2 |
316 | 6GZD | LCI | 23.224 |
317 | 5W4W | 9WG | 23.565 |
318 | 4KBA | 1QM | 23.565 |
319 | 6BFN | DL1 | 23.9766 |
320 | 2CSN | CKI | 24.2424 |
321 | 5OKT | 9XK | 24.5223 |
322 | 4G17 | 0VN | 24.5455 |
323 | 5N1X | 8HH | 24.7934 |
324 | 5QIN | J2V | 25.3165 |
325 | 5T8O | 76Z | 25.5014 |
326 | 4E93 | GUI | 25.6831 |
327 | 3PP0 | 03Q | 25.7396 |
328 | 4PNI | KQQ | 25.9563 |
329 | 4L9I | 8PR | 25.9563 |
330 | 6GWR | FEW | 26.0317 |
331 | 4IDT | T28 | 26.1236 |
332 | 4P5Z | Q7M | 26.3158 |
333 | 3V8S | 0HD | 26.5027 |
334 | 2F2U | M77 | 26.5027 |
335 | 4WNK | 453 | 26.5027 |
336 | 4I94 | ANP | 26.6667 |
337 | 4Y8D | 49J | 26.7647 |
338 | 4IX4 | ADP | 26.8571 |
339 | 3C1X | CKK | 27.0492 |
340 | 2QLU | ADE | 27.0701 |
341 | 5MWE | TCE | 27.1429 |
342 | 3HMO | STU | 27.4854 |
343 | 4Y93 | 746 | 27.5956 |
344 | 4U44 | 3D9 | 27.7108 |
345 | 5HCY | 60D | 28.0967 |
346 | 3H9R | TAK | 28.1818 |
347 | 4EUU | BX7 | 28.2132 |
348 | 4UAL | 3FV | 28.6885 |
349 | 4CLI | 5P8 | 28.7462 |
350 | 5VCV | 1N1 | 28.9389 |
351 | 5Y80 | IRE | 29.0735 |