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- 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 95 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 | 6HOT | - | CIY | C10 H10 O3 | COc1cc(ccc.... |
6 | 5ORJ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
7 | 3MB6 | ic50 = 100 nM | 01I | C16 H8 O6 | c1cc2c(cc(.... |
8 | 5M4F | - | 7FC | C16 H8 Cl2 O5 | c1cc(ccc1C.... |
9 | 6A1C | - | 9NX | C17 H15 Br N4 O2 S | COc1cc(c(c.... |
10 | 6EHU | - | B5E | C25 H24 F3 N3 | CCc1ccccc1.... |
11 | 5CVH | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
12 | 3BQC | ic50 ~ 2 uM | EMO | C15 H10 O5 | Cc1cc2c(c(.... |
13 | 5N9K | Ki = 0.4 nM | 8QK | C20 H13 Cl2 N O4 | COc1ccc(cc.... |
14 | 5OTQ | - | AUH | C25 H27 N3 O | CCc1ccccc1.... |
15 | 5CU2 | - | 54G | C8 H8 O3 | Cc1ccc(c(c.... |
16 | 5MO5 | - | 4IH | C17 H21 Cl N2 O2 S | CS(=O)(=O).... |
17 | 5M4I | - | 7FC | C16 H8 Cl2 O5 | c1cc(ccc1C.... |
18 | 5MP8 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
19 | 6HOR | - | GJK | C11 H12 O3 | CC(=O)/C=C.... |
20 | 5MOV | - | HC4 | C9 H8 O3 | c1cc(ccc1C.... |
21 | 5MOH | - | YTX | C9 H10 O4 | COc1cc(ccc.... |
22 | 6JWA | ic50 = 10.9 uM | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
23 | 6HNW | ic50 = 200 nM | CUE | C15 H8 O5 | c1cc2c(cc1.... |
24 | 5CSH | Kd = 270 uM | 54E | C13 H12 Cl N | c1ccc(cc1).... |
25 | 5OTL | - | AQT | C25 H26 Cl N3 O | CCc1ccccc1.... |
26 | 5ORK | Kd = 234 uM | A4T | C13 H11 Cl F N | c1ccc(c(c1.... |
27 | 3OWL | ic50 = 0.67 uM | 19E | C16 H11 Cl N2 O | Cc1cnc(c2c.... |
28 | 5OYF | - | B4Q | C25 H27 N3 | CCc1ccccc1.... |
29 | 5H8G | ic50 < 0.003 uM | 5Y4 | C23 H29 N9 O | CC(=O)Nc1c.... |
30 | 5OS7 | - | A8Q | C16 H19 Cl N | CC(C)c1ccc.... |
31 | 5OTZ | Kd = 6.5 uM | AUT | C15 H15 Cl2 N | CCc1ccccc1.... |
32 | 6HOQ | - | FER | C10 H10 O4 | COc1cc(ccc.... |
33 | 5OUM | - | AVK | C18 H18 Cl N3 | c1ccc(cc1).... |
34 | 5B0X | ic50 = 0.02 uM | HCK | C18 H14 N2 O4 S | COc1ccc(cc.... |
35 | 5MO8 | Kd = 1.64 uM | C98 | C26 H26 Cl N3 O4 | c1ccc(cc1).... |
36 | 6HME | - | FXB | C21 H21 N O3 | CC(C)n1c2c.... |
37 | 6HOP | - | FER | C10 H10 O4 | COc1cc(ccc.... |
38 | 5OTO | - | AQW | C24 H23 Cl2 N3 | CCc1ccccc1.... |
39 | 3AT4 | Kd = 2.26 nM | CCK | C20 H20 N6 O2 | CC(C)Nc1cc.... |
40 | 3OWJ | Ki = 0.86 uM | 1EL | C17 H14 N2 O2 | Cc1c2c(c(c.... |
41 | 6EII | - | B5W | C22 H23 Cl N | c1ccc(cc1).... |
42 | 5CU0 | - | 54R | C18 H21 Cl N2 O | CC(=O)NCCC.... |
43 | 5H8E | ic50 < 0.003 uM | 5Y3 | C21 H25 N9 O | CC(=O)Nc1c.... |
44 | 5OWH | - | B0K | C10 H9 Br4 N3 | c1nc2c(n1C.... |
45 | 3WAR | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
46 | 5MOE | Kd = 500 uM | OQC | C11 H10 Cl N O | c1cc(c(cc1.... |
47 | 5OUE | - | AVZ | C18 H19 Cl N3 | c1ccc(cc1).... |
48 | 5MOD | Kd = 300 uM | 86L | C10 H14 Cl N O | CC(C)Oc1cc.... |
49 | 5OWL | - | B0K | C10 H9 Br4 N3 | c1nc2c(n1C.... |
50 | 6HBN | - | FXB | C21 H21 N O3 | CC(C)n1c2c.... |
51 | 5CU3 | Kd = 0.32 uM | 54S | C26 H26 Cl N3 O4 | c1ccc(cc1).... |
52 | 5OTR | - | AU8 | C13 H12 Cl2 N | c1ccc(cc1).... |
53 | 4KWP | Ki = 0.04 uM | EXX | C12 H10 Br4 N2 O3 | c1nc2c(n1[.... |
54 | 5OSL | - | A9K | C13 H12 Cl N O | c1ccc(c(c1.... |
55 | 5N9N | Ki = 0.4 nM | KC5 | C20 H15 Cl2 N O4 | COc1ccc(cc.... |
56 | 5CSP | Kd = 58 uM | 54G | C8 H8 O3 | Cc1ccc(c(c.... |
57 | 5CTP | - | 54R | C18 H21 Cl N2 O | CC(=O)NCCC.... |
58 | 5MOW | - | BR9 | C5 H6 Br N3 | c1c(cnc(c1.... |
59 | 4UB7 | Ki = 2.5 nM | 3G5 | C16 H8 Br2 O5 | c1cc(ccc1C.... |
60 | 5MMF | - | JMB | C16 H19 Cl N | CCC[NH2+]C.... |
61 | 5OTH | - | AQ8 | C25 H26 Cl N3 O | CCc1ccccc1.... |
62 | 1PJK | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
63 | 3NSZ | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
64 | 5OTI | - | AOK | C25 H26 Cl N3 | CCc1ccccc1.... |
65 | 3AXW | - | TID | C9 H7 N3 O2 S | c1cc(ccc1c.... |
66 | 5MO6 | - | KXZ | C19 H21 Cl N2 O3 | c1ccc(cc1).... |
67 | 2PVR | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
68 | 3C13 | - | EMO | C15 H10 O5 | Cc1cc2c(c(.... |
69 | 5CS6 | Kd = 630 uM | K82 | C10 H14 Cl N O | CCCOc1ccc(.... |
70 | 3PE2 | Ki = 0.175 nM | E1B | C20 H12 N4 O2 | C#Cc1cccc(.... |
71 | 5CT0 | - | 54P | C16 H18 Cl N O | c1ccc(cc1).... |
72 | 5CU6 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
73 | 5M4C | - | 7EY | C16 H14 N2 O2 S2 | Cc1ccc(cc1.... |
74 | 5MO7 | - | YRA | C16 H17 Cl N2 O | c1ccc(cc1).... |
75 | 5N9L | Ki = 15 nM | 8QH | C20 H15 Cl2 N O3 | Cc1ccc(cc1.... |
76 | 5OT5 | - | AWK | C25 H26 Cl N3 | CCc1ccccc1.... |
77 | 3OWK | ic50 = 1.5 uM | 18E | C16 H11 Cl N2 O | Cc1cnc(c2c.... |
78 | 5MMR | - | H83 | C17 H21 Cl N2 | c1ccc(cc1).... |
79 | 5MPJ | - | J2P | C15 H17 Cl N | CC[NH2+]Cc.... |
80 | 5OQU | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
81 | 6GIH | - | EZN | C15 H13 Cl N2 | c1cc(c2cc[.... |
82 | 5CSV | - | GAB | C7 H7 N O2 | c1cc(cc(c1.... |
83 | 5MOT | - | HBD | C7 H7 N O2 | c1cc(ccc1C.... |
84 | 3R0T | ic50 = 0.91 nM | FU9 | C22 H16 F3 N5 O2 | c1cc(cc(c1.... |
85 | 3PE1 | Ki = 0.38 nM | 3NG | C19 H12 Cl N3 O2 | c1cc(cc(c1.... |
86 | 3JUH | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
87 | 5CLP | - | 42J | C8 H9 Cl2 N | c1cc(c(cc1.... |
88 | 5ORH | Kd = 41 uM | A4N | C14 H14 Cl N | Cc1ccccc1c.... |
89 | 3H30 | Ki = 29.2 uM | RFZ | C12 H12 Cl2 N2 O4 | c1c2c(cc(c.... |
90 | 2ZJW | ic50 = 0.04 uM | REF | C14 H6 O8 | c1c2c-3c(c.... |
91 | 6HOU | - | V55 | C8 H8 O3 | COc1cc(ccc.... |
92 | 5OSZ | - | AHK | C24 H25 Cl N3 | CCc1ccccc1.... |
93 | 4GRB | ic50 = 17 nM | 0XG | C19 H18 N4 O4 S | CN(C)C(=O).... |
94 | 5OT6 | - | AJK | C19 H20 Cl N2 | c1ccc(cc1).... |
95 | 6EHK | - | AUW | C24 H23 Cl2 N3 | CCc1ccccc1.... |
96 | 3MB7 | ic50 = 200 nM | 14I | C16 H8 O6 | c1cc2c(cc(.... |
97 | 5OS8 | - | J27 | C14 H14 Cl F N | Cc1cc(ccc1.... |
98 | 5OTY | - | AUW | C24 H23 Cl2 N3 | CCc1ccccc1.... |
99 | 5OTD | - | AOW | C24 H24 Cl N4 O2 | CCc1ccccc1.... |
100 | 6GMD | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
101 | 5CVF | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
102 | 6HNY | - | GHT | C19 H19 N O4 | CN1CCc2cc(.... |
103 | 5CX9 | - | 551 | C20 H23 Cl N2 O3 | COC(=O)CC(.... |
104 | 5OUL | - | AWE | C13 H11 Cl F N | c1cc(cc(c1.... |
105 | 2PVH | Ki = 0.26 uM | P19 | C17 H14 N6 | c1ccc(cc1).... |
106 | 1M2P | - | HNA | C14 H7 N O6 | c1cc2c(c(c.... |
107 | 1LPU | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
108 | 2QC6 | ic50 = 0.1 uM | G12 | C10 H6 Br2 O3 | CC1=C(C(=O.... |
109 | 4ANM | ic50 = 28 nM | WUL | C15 H14 Br N3 O3 | c1cc2c(cc1.... |
110 | 1DAW | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
111 | 4RLK | - | E91 | C21 H14 N2 O2 | c1ccc2c(c1.... |
112 | 2OXD | - | K32 | C7 H2 Br4 N2 O | c12c(c(c(c.... |
113 | 2PVM | Ki = 0.36 uM | P29 | C17 H15 N9 | c1ccc(cc1).... |
114 | 1J91 | - | TBS | C6 H Br4 N3 | c12c(c(c(c.... |
115 | 3FL5 | - | TXQ | C14 H8 O6 | c1cc(c(c2c.... |
116 | 3PWD | ic50 = 0.22 uM | CZ0 | C14 H9 N O5 | CC1=CC(=O).... |
117 | 3KXH | - | K66 | C11 H9 Br4 N3 O2 | CN(C)c1nc2.... |
118 | 4DGM | ic50 = 1.2 uM | AGI | C15 H10 O5 | c1cc(ccc1C.... |
119 | 3PVG | - | K68 | C9 H4 Br4 N2 O2 | c1nc2c(n1C.... |
120 | 1ZOG | Ki = 0.07 uM | K37 | C8 H4 Br4 N2 S | CSc1[nH]c2.... |
121 | 2PVJ | Ki = 0.005 uM | P44 | C19 H21 N7 | c1ccc(cc1).... |
122 | 4DGN | ic50 = 0.35 uM | LU2 | C15 H10 O6 | c1cc(c(cc1.... |
123 | 1M2Q | - | MNX | C13 H7 N O6 | c1cc(c2c(c.... |
124 | 2OXY | - | K17 | C7 H2 Br4 N2 | c1[nH]c2c(.... |
125 | 1M2R | - | MNY | C14 H10 N2 O4 | c1cc(c2c(c.... |
126 | 3KXN | - | K8X | C7 H2 I4 N2 | c1[nH]c2c(.... |
127 | 6QS5 | ic50 = 0.57 uM | JGB | C10 H8 N2 O3 | c1cc(c(cc1.... |
128 | 1ZOE | Ki = 0.04 uM | K25 | C9 H7 Br4 N3 | CN(C)c1[nH.... |
129 | 2PVL | Ki = 0.024 uM | P55 | C18 H20 N8 | CCN1CCN(CC.... |
130 | 1LP4 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
131 | 2PVN | Ki = 0.00035 uM | P63 | C20 H16 N8 O | CC(=O)Nc1c.... |
132 | 3KXG | - | K6X | C7 H Br5 N2 | c12c(c(c(c.... |
133 | 3BE9 | Ki = 24 nM | P04 | C19 H21 N7 O | c1cc2cc(c1.... |
134 | 2OXX | - | K22 | C7 H2 Br4 N2 S | c12c(c(c(c.... |
135 | 3KXM | - | K74 | C11 H9 Br4 N3 O S | CNC(=O)CSc.... |
136 | 1LR4 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
137 | 1OM1 | Ki = 0.17 uM | IQA | C17 H12 N2 O3 | c1ccc2c(c1.... |
138 | 1ZOH | Ki = 0.1 uM | K44 | C10 H7 Br4 N3 | C[N@@]1CCn.... |
139 | 2PVK | Ki = 0.008 uM | P45 | C19 H14 Cl N7 | c1ccc(cc1).... |
140 | 1DAY | - | GNP | C10 H17 N6 O13 P3 | c1nc2c(n1[.... |
141 | 6KO6 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
142 | 6K3L | Kd = 60.1 nM | 3NG | C19 H12 Cl N3 O2 | c1cc(cc(c1.... |
143 | 6ISJ | - | 3NG | C19 H12 Cl N3 O2 | c1cc(cc(c1.... |
144 | 5Y9M | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
145 | 5M56 | - | 7FC | C16 H8 Cl2 O5 | c1cc(ccc1C.... |
146 | 5M4U | - | 7FC | C16 H8 Cl2 O5 | c1cc(ccc1C.... |
147 | 6HMD | - | GDW | C21 H24 N2 O2 | CCN(CC)CCn.... |
148 | 6HMQ | - | 4B0 | C9 H7 Br4 N3 O | C(Cn1c2c(c.... |
149 | 5OOI | - | 9YE | C23 H25 N O3 | CC(C)n1c2c.... |
150 | 6HMB | - | 3NG | C19 H12 Cl N3 O2 | c1cc(cc(c1.... |
151 | 3OFM | - | 4B0 | C9 H7 Br4 N3 O | C(Cn1c2c(c.... |
152 | 6HMC | - | FXB | C21 H21 N O3 | CC(C)n1c2c.... |
153 | 5YF9 | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
154 | 5OMY | - | 9YE | C23 H25 N O3 | CC(C)n1c2c.... |
155 | 5ONI | - | 9YE | C23 H25 N O3 | CC(C)n1c2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 63 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 | 6QAG | - | HUH | C2 H3 N3 | c1cnn[nH]1 |
9 | 4I5H | Ki < 2 nM | G17 | C26 H21 F3 N4 O | Cc1ccc(cc1.... |
10 | 6G93 | ic50 = 11 nM | EU2 | C17 H17 Cl N4 O2 | c1cc2c(cc1.... |
11 | 4QTE | Kd = 0.084 uM | 390 | C24 H20 Cl2 F N5 O2 | Cc1cnc(nc1.... |
12 | 4XNE | - | TT4 | C8 H9 N5 | c1ccc(cc1).... |
13 | 3QYW | - | 6PB | C11 H8 Br N5 | c1cc(cc(c1.... |
14 | 5BUE | ic50 = 0.003 uM | 4V8 | C23 H21 N5 O | c1ccc(cc1).... |
15 | 6GE0 | ic50 = 2.1 nM | EVQ | C28 H30 Cl N5 O4 | C[C@H](c1c.... |
16 | 6G9N | ic50 = 3 nM | ESN | C29 H32 Cl N5 O4 | Cc1cccc(c1.... |
17 | 2Z7L | - | S91 | C20 H19 N5 O3 | Cc1cccc(c1.... |
18 | 6QAW | - | HVE | C12 H18 N5 | c1c[nH]c2c.... |
19 | 4ZXT | - | CAQ | C6 H6 O2 | c1ccc(c(c1.... |
20 | 1WZY | ic50 = 0.56 uM | F29 | C21 H17 N7 | C=CCn1c2c(.... |
21 | 6DMG | - | EK6 | C27 H26 Cl2 F N5 O4 | CCOC(=O)CN.... |
22 | 5NHH | ic50 < 0.00113 uM | 8XH | C19 H25 N5 O3 | COCCN1CCc2.... |
23 | 6OPH | - | 6QB | C21 H18 Cl F N6 O2 | Cn1c(ccn1).... |
24 | 6G9H | ic50 = 4 nM | ERW | C24 H30 Cl N5 O3 | CC(C)(C)N(.... |
25 | 4N4S | - | 2H1 | C25 H24 N6 O | Cc1cc(cc2c.... |
26 | 4QP8 | ic50 = 0.28 uM | 362 | C14 H10 N6 | c1cc(cnc1).... |
27 | 6SLG | Kd = 0.00000145 M | LHZ | C24 H24 F2 N8 O2 | Cc1cnc(nc1.... |
28 | 4QP4 | - | 36O | C11 H15 N5 | c1[nH]c2c(.... |
29 | 6G9D | ic50 = 4.3 nM | ER8 | C23 H28 Cl N5 O3 | CC(C)(C)NC.... |
30 | 6GJB | ic50 = 0.008 uM | F0H | C35 H34 Cl F N6 O4 | c1cc(c(cc1.... |
31 | 6G91 | ic50 = 3200 nM | EQW | C9 H12 Cl N3 O | c1c(cnc(n1.... |
32 | 6G8X | - | EQT | C7 H6 Cl N3 | c1cc2c(c(c.... |
33 | 6DCG | ic50 = 7 nM | G67 | C37 H41 N9 O3 S | CC(C)Oc1cc.... |
34 | 4QP9 | ic50 = 0.071 uM | 35X | C17 H16 N6 | CCCn1cc(cn.... |
35 | 5BVE | ic50 = 0.01 nM | 4VG | C25 H28 Cl N5 O3 | c1cc(cc(c1.... |
36 | 6Q7S | - | IPH | C6 H6 O | c1ccc(cc1).... |
37 | 5KE0 | - | 6S9 | C20 H18 N6 O | Cc1cc(ccn1.... |
38 | 6CPW | ic50 = 5.6 nM | F8V | C35 H35 F N8 O2 S | CS[C@]1(CC.... |
39 | 4XOY | - | DX4 | C5 H5 N5 S | c1[nH]c2c(.... |
40 | 6G9K | - | ESK | C27 H28 Cl N5 O4 | c1ccc(cc1).... |
41 | 3QYZ | - | Z8B | C10 H11 Br N8 O3 | c1nc(c2c(n.... |
42 | 5BVF | ic50 = 0.19 nM | 4VJ | C25 H28 Cl N5 O3 | c1cc(cc(c1.... |
43 | 6G9M | ic50 = 7.9 nM | ESW | C28 H30 Cl N5 O3 | CC(C)(c1cc.... |
44 | 6QAH | - | HVB | C3 H9 N2 | CCC(=[NH2+.... |
45 | 6QA3 | - | PZO | C3 H4 N2 | c1c[nH]nc1 |
46 | 4XOZ | - | 620 | C15 H16 N6 O | c1ccc(cc1).... |
47 | 5HD7 | - | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
48 | 4XRJ | - | 620 | C15 H16 N6 O | c1ccc(cc1).... |
49 | 2OJJ | Ki = 0.002 uM | 82A | C22 H17 Cl2 F N4 O2 | c1cc(cc(c1.... |
50 | 6Q7K | - | 2AI | C3 H5 N3 | c1cnc([nH].... |
51 | 4QTA | Kd = 0.013 uM | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
52 | 6RQ4 | - | KE8 | C22 H27 N7 O2 S | CC1(c2c(cc.... |
53 | 5NHO | ic50 < 0.0003 uM | 8XN | C20 H25 N7 O2 | Cc1cnc(nc1.... |
54 | 2OJG | Ki = 2.3 uM | 19A | C16 H16 N4 O | CN(C)C(=O).... |
55 | 4XP0 | - | 42A | C8 H5 N3 | c1cc2c(c[n.... |
56 | 4QP2 | Kd = 940 uM | 36R | C7 H5 Cl N2 O | c1cc2c(cc1.... |
57 | 5NHF | ic50 = 0.0012 uM | 8X5 | C23 H25 N5 O2 | c1ccc(cc1).... |
58 | 5BUJ | ic50 = 0.005 uM | 4VB | C16 H15 N5 O | c1cnccc1c2.... |
59 | 6G9J | ic50 = 4.1 nM | ERK | C27 H28 Cl N5 O3 | C[C@H](c1c.... |
60 | 5BUI | ic50 = 0.089 uM | 4V9 | C17 H15 F N4 | c1ccnc(c1).... |
61 | 4QP7 | ic50 = 5.9 uM | 363 | C9 H7 N5 | c1c[nH]c2c.... |
62 | 3ERK | ic50 = 18 uM | SB4 | C18 H19 F N6 | c1cc(ccc1c.... |
63 | 6GDQ | - | EVK | C21 H22 Cl2 N4 O2 | CC(C)Nc1cc.... |
64 | 5V60 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
65 | 6QA1 | - | HVK | C5 H6 N2 | c1ccnc(c1).... |
66 | 1TVO | Ki = 0.14 uM | FRZ | C18 H13 N7 | c1ccc(cc1).... |
67 | 6G9A | ic50 = 21 nM | ESQ | C23 H28 Cl N5 O3 | c1cc2c(cc1.... |
68 | 5BVD | ic50 = 0.16 nM | 4VF | C24 H26 Cl N5 O3 | c1cc(cc(c1.... |
69 | 4ZZN | ic50 = 0.26 uM | CQ8 | C18 H21 Cl N4 O2 | CNC(=O)c1c.... |
70 | 3SA0 | - | NRA | C13 H8 O6 | c1c(cc2c(c.... |
71 | 4ERK | ic50 = 27 uM | OLO | C15 H18 N6 O | Cn1cnc2c1n.... |
72 | 6GJD | ic50 = 0.022 uM | F0E | C46 H55 N11 O5 | c1cnc(nc1).... |
73 | 5U6I | - | 81Y | C19 H22 N4 O2 | CC(C)Oc1cc.... |
74 | 5NHV | ic50 = 0.0028 uM | 8QB | C16 H19 N5 O2 | c1cnc(nc1c.... |
75 | 6QAL | - | HV2 | C3 H6 O3 S | C1C(CS1(=O.... |
76 | 3I5Z | Ki = 2 nM | Z48 | C24 H23 N5 O2 | Cc1cnc(nc1.... |
77 | 6QA4 | - | HRZ | C5 H5 N O | C1=CC(=O)N.... |
78 | 4N0S | - | DHC | C9 H8 O4 | c1cc(c(cc1.... |
79 | 5NHP | ic50 = 0.023 uM | 8XK | C19 H23 N7 O2 | Cn1c(ccn1).... |
80 | 3I60 | Ki < 2 nM | E86 | C24 H22 Cl N5 O2 | Cc1cnc(nc1.... |
81 | 4XP2 | - | TT4 | C8 H9 N5 | c1ccc(cc1).... |
82 | 1PME | Ki = 0.76 nM | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
83 | 6Q7T | - | HOW | C3 H4 N2 O | c1conc1N |
84 | 5NHL | ic50 < 0.0003 uM | 8XB | C20 H25 N7 O2 | Cc1cnc(nc1.... |
85 | 5HD4 | - | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
86 | 6G97 | ic50 = 4.2 nM | EQZ | C20 H23 Cl N4 O3 | COCCN1Cc2c.... |
87 | 6G92 | ic50 = 76000 nM | ERZ | C10 H13 N5 | Cc1cnc(nc1.... |
88 | 5K4I | ic50 = 3.1 nM | 6QB | C21 H18 Cl F N6 O2 | Cn1c(ccn1).... |
89 | 4FA2 | - | SB0 | C20 H21 F N4 O2 | COc1nccc(n.... |
90 | 2GHM | - | LIC | C24 H28 Cl N5 O3 | C[C@@H](C(.... |
91 | 1W84 | ic50 = 35 uM | L12 | C15 H14 N2 | c1ccc2c(c1.... |
92 | 6M95 | ic50 = 140 nM | J8S | C21 H25 N O2 S | COc1cc(ccc.... |
93 | 4EH5 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
94 | 2BAK | Kd = 37 nM | AQZ | C32 H37 N7 O4 | Cc1ccc(cc1.... |
95 | 3HV6 | ic50 = 5500 nM | R39 | C27 H35 N5 O3 | Cc1ccc(cc1.... |
96 | 3HP2 | - | P36 | C19 H16 Br N O2 | c1ccc(cc1).... |
97 | 6M9L | ic50 = 29 nM | J9G | C19 H14 F2 N4 O | c1ccc(cc1).... |
98 | 1WBO | ic50 = 1 mM | 2CH | C6 H5 Cl O | c1ccc(c(c1.... |
99 | 4KIQ | ic50 = 23 nM | 1RA | C23 H23 N3 O4 | CCOC(=O)n1.... |
100 | 3GC7 | ic50 = 0.4 nM | B45 | C28 H27 Cl3 F N3 O | CC(C)N1CCC.... |
101 | 4EH6 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
102 | 5MTX | Kd = 17.7 nM | FJI | C34 H31 F N4 O5 | c1ccc(cc1).... |
103 | 2ZB0 | Ki = 0.24 uM | GK3 | C24 H18 N4 O2 | Cc1ccc(cc1.... |
104 | 2GTM | ic50 = 542 nM | LID | C19 H15 Cl F2 N6 | CCn1c2c(cn.... |
105 | 5N66 | - | B96 | C31 H37 N5 O3 | Cc1ccc(cc1.... |
106 | 2YIX | Kd = 3.3 nM | YIX | C19 H23 N5 O S | CCNC(=O)NC.... |
107 | 3OCG | ic50 = 3 nM | OCG | C21 H18 N6 O3 | Cc1ccc(cc1.... |
108 | 1BL7 | - | SB4 | C18 H19 F N6 | c1cc(ccc1c.... |
109 | 3P7C | ic50 = 0.022 uM | P7C | C25 H33 Cl2 N5 O3 S | CC(C)(C)c1.... |
110 | 5TBE | Kd = 4.4 nM | 78L | C33 H30 F2 N4 O4 S | c1cc(sc1)C.... |
111 | 4KIP | ic50 = 7 nM | 1R9 | C21 H18 Cl N3 O2 S | Cc1ccc(cc1.... |
112 | 2EWA | - | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
113 | 2GHL | - | LIB | C23 H26 Cl N5 O3 | C[C@@H](C(.... |
114 | 1ZZ2 | ic50 = 6 uM | B11 | C24 H26 F N3 O4 S | c1ccc(c(c1.... |
115 | 3ZSI | - | 52P | C19 H9 Cl2 F2 N3 O S | c1cc(c(c(c.... |
116 | 2YIW | - | YIW | C30 H33 N7 O S | CC(C)c1nnc.... |
117 | 5WJJ | ic50 = 5.4 nM | AQY | C25 H19 F N6 O2 | Cc1cc(ccc1.... |
118 | 1A9U | - | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
119 | 1M7Q | ic50 = 2.6 nM | DQO | C24 H20 Cl2 F2 N4 O | c1cc(c(c(c.... |
120 | 5MTY | Kd = 1.3 nM | HB9 | C29 H23 F2 N3 O4 S | c1cc(sc1)C.... |
121 | 6HWU | ic50 = 54.7 nM | GE5 | C31 H26 F N5 O3 S | COc1ccc(c(.... |
122 | 4EH7 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
123 | 1YQJ | ic50 = 7.3 nM | 6NP | C30 H27 N5 | c1ccc(cc1).... |
124 | 4EH3 | - | NAR | C15 H12 O5 | c1cc(ccc1[.... |
125 | 4AA5 | ic50 = 6.7 nM | NQB | C24 H27 N5 O2 | Cc1ccc(cc1.... |
126 | 1OVE | ic50 = 0.74 nM | 358 | C26 H22 Cl2 F2 N2 O | c1cc(c(c(c.... |
127 | 3UVP | ic50 = 0.035 uM | 048 | C24 H21 F N2 O2 | c1ccc(cc1).... |
128 | 5N67 | - | 8ON | C28 H30 N6 O | CC(=O)N1CC.... |
129 | 3NNV | ic50 = 27 nM | 437 | C25 H26 N4 O2 | CC(C)(C)c1.... |
130 | 3CTQ | ic50 = 40 nM | 337 | C30 H34 N6 O5 S | Cc1ccc(cc1.... |
131 | 3IW7 | - | IPK | C26 H26 N4 O S | c1ccc(cc1).... |
132 | 3ITZ | ic50 = 1.4 nM | P66 | C21 H15 Cl F2 N6 O | c1cc(c(c(c.... |
133 | 2ZB1 | Ki = 0.48 uM | GK4 | C21 H21 N3 O2 | Cc1ccc(cc1.... |
134 | 3HV5 | ic50 = 150 nM | R24 | C30 H29 N7 O3 | Cc1ccc(cc1.... |
135 | 1WBW | ic50 = 44 uM | LI4 | C16 H14 N2 O | c1ccc2c(c1.... |
136 | 3P79 | ic50 = 2.3 uM | P79 | C24 H29 N5 O4 S | CC(C)(C)c1.... |
137 | 3HV7 | ic50 = 90 nM | 1AU | C24 H25 N5 O | CC(C)(C)c1.... |
138 | 3GFE | ic50 = 3.2 nM | P37 | C24 H21 F2 N5 O2 | Cc1ccc(cc1.... |
139 | 3ZYA | - | 2A8 | C21 H18 N2 O | c1ccc2c(c1.... |
140 | 2RG5 | ic50 = 3.1 nM | 279 | C19 H22 N6 O3 | CCNC(=O)c1.... |
141 | 3L8X | ic50 = 10 nM | N4D | C20 H18 N6 O | Cc1ccc(cc1.... |
142 | 5OMH | - | 9Y5 | C16 H12 Cl N3 O2 S | Cc1c2c(n(n.... |
143 | 3GCS | Kd = 56 nM | BAX | C21 H16 Cl F3 N4 O3 | CNC(=O)c1c.... |
144 | 6OHD | ic50 = 0.42 nM | MKP | C21 H21 N5 O3 | Cc1ccc(cc1.... |
145 | 3ZS5 | - | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
146 | 3D83 | Ki = 4.4 nM | GK6 | C28 H30 N4 O3 | Cc1ccc(cc1.... |
147 | 1YW2 | ic50 = 141 nM | PGJ | C22 H18 F N3 O5 | CCOC[N@]1C.... |
148 | 1W82 | ic50 = 196 nM | L10 | C20 H21 Cl N4 O | CC(C)(C)C1.... |
149 | 3ZSG | - | T75 | C24 H21 N3 O S | CCc1nc(c(s.... |
150 | 5TCO | Kd = 3.14 nM | 79Q | C35 H33 F N4 O4 | c1ccc(cc1).... |
151 | 6HWT | - | GXH | C31 H28 F N5 O3 S | COc1ccc(c(.... |
152 | 4EH8 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
153 | 3GCP | Kd = 15 nM | SB2 | C21 H16 F N3 O S | C[S@](=O)c.... |
154 | 3HLL | Ki = 0.0058 uM | I45 | C22 H19 Br F2 N2 O3 | Cc1ccc(cc1.... |
155 | 1ZZL | ic50 = 5 nM | TZY | C18 H15 F N4 O | CC(C)c1nnc.... |
156 | 2RG6 | ic50 = 2.2 nM | 287 | C25 H26 N6 O3 | Cc1ccc(cc1.... |
157 | 3MPT | ic50 = 0.25 uM | 1GK | C18 H16 N2 O3 | Cc1ccccc1C.... |
158 | 5OMG | - | 9Y8 | C16 H12 F N3 O2 S | CN1c2c([nH.... |
159 | 1BL6 | - | SB6 | C18 H16 F N3 | c1cc(ccc1c.... |
160 | 3NNW | ic50 = 9 nM | EDD | C22 H23 Cl2 N5 O2 | CC(C)(C)C1.... |
161 | 3GI3 | Kd < 1.8 nM | B10 | C33 H39 N5 O5 S | CC(C)(C)c1.... |
162 | 3K3J | - | I46 | C14 H9 F2 N3 | c1cc(ccc1c.... |
163 | 3HEC | ic50 = 70 uM | STI | C29 H31 N7 O | Cc1ccc(cc1.... |
164 | 1IAN | - | D13 | C21 H16 I N3 O S | C[S@@](=O).... |
165 | 3FC1 | - | 52P | C19 H9 Cl2 F2 N3 O S | c1cc(c(c(c.... |
166 | 3MVM | ic50 = 13 nM | 39P | C22 H23 N7 O3 | CCCNC(=O)c.... |
167 | 3NNU | ic50 = 48 nM | EDB | C22 H17 Cl2 N5 O2 S | c1cc(cc(c1.... |
168 | 1W7H | ic50 = 1 mM | 3IP | C12 H12 N2 O | c1ccc(cc1).... |
169 | 3U8W | ic50 = 1 nM | 09J | C24 H21 Cl F N5 O2 | CCN1C(=O)C.... |
170 | 1WBS | ic50 = 0.63 uM | LI2 | C26 H25 F N4 O2 | c1cc2c(cc1.... |
171 | 4E6C | Kd ~ 15 uM | 0O8 | C25 H53 N O4 P | CCCCCCCCCC.... |
172 | 5N68 | - | 8OK | C26 H27 N5 O | c1ccc(cc1).... |
173 | 1WBV | ic50 = 162 uM | LI3 | C19 H18 F N3 O2 | c1cc2c(cc[.... |
174 | 4EH2 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
175 | 3HA8 | - | 5JZ | C36 H38 N8 O5 | CCOc1nc(nc.... |
176 | 3HEG | ic50 = 0.057 uM | BAX | C21 H16 Cl F3 N4 O3 | CNC(=O)c1c.... |
177 | 2ZAZ | Ki = 0.4 uM | GK1 | C20 H15 N3 O2 S | Cc1ccc(cc1.... |
178 | 3HP5 | - | I46 | C14 H9 F2 N3 | c1cc(ccc1c.... |
179 | 5ML5 | ic50 = 10 nM | 1VI | C26 H25 F N4 O3 S | COc1ccc(c(.... |
180 | 4DLI | Kd = 2.4 uM | IRG | C17 H16 N4 | c1ccc(cc1).... |
181 | 3P78 | ic50 = 0.11 uM | P78 | C24 H27 N3 O4 S2 | CC(C)(C)c1.... |
182 | 4EH9 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
183 | 1YWR | ic50 = 32 nM | LI9 | C27 H29 F N6 O | C[C@@H](c1.... |
184 | 3IW5 | Kd = 0.839 uM | DF3 | C28 H24 F3 N3 O4 S | c1ccc2c(c1.... |
185 | 3HV3 | ic50 = 900 nM | R49 | C30 H31 N7 O | Cc1cccc(c1.... |
186 | 6HWV | ic50 = 115 nM | GEW | C32 H28 F2 N6 O3 | Cn1c(c(nc1.... |
187 | 4A9Y | - | AQZ | C32 H37 N7 O4 | Cc1ccc(cc1.... |
188 | 3GCU | - | R48 | C29 H30 N8 O | Cc1ccc(cc1.... |
189 | 1OUY | ic50 = 4.3 nM | 094 | C24 H18 Cl2 F2 N4 O S | c1cc(c(c(c.... |
190 | 3D7Z | Ki = 12 nM | GK5 | C22 H24 N2 O2 | Cc1ccc(cc1.... |
191 | 2YIS | - | YIS | C35 H34 Cl N7 O3 S2 | CC(C)(C)c1.... |
192 | 1OUK | ic50 = 0.13 nM | 084 | C28 H29 F3 N6 | C[C@@H](c1.... |
193 | 3BV2 | Ki = 0.44 nM | P38 | C33 H32 N8 O3 | Cc1ccc(cc1.... |
194 | 4R3C | - | GG5 | C14 H10 F N3 | c1cc(ccc1c.... |
195 | 4L8M | ic50 = 0.001 uM | F46 | C33 H30 F N3 O5 | c1ccc(cc1).... |
196 | 4E6A | - | 0O9 | C32 H65 O10 P | CCCCCCCCCC.... |
197 | 1WBN | ic50 = 0.35 uM | L09 | C20 H22 Cl N5 O2 | CC(C)(C)c1.... |
198 | 2QD9 | ic50 = 13 nM | LGF | C27 H24 F2 N6 O5 | COc1c(cc2c.... |
199 | 3HUC | Kd = 1030 nM | G97 | C20 H16 N6 O | C=CC(=O)Nc.... |
200 | 3HL7 | Ki = 0.023 uM | I47 | C20 H20 Cl N5 O2 | c1cc(ccc1c.... |
201 | 4EHV | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
202 | 2GTN | ic50 = 4 nM | LIE | C20 H16 F3 N5 O | CC(C)n1c2c.... |
203 | 3HRB | ic50 = 21 nM | I39 | C19 H14 F2 N2 O2 | Cc1ccccc1c.... |
204 | 3BX5 | ic50 = 1.5 nM | 304 | C17 H22 N4 O2 S | CC[C@@H](C.... |
205 | 3HVC | ic50 = 600 nM | GG5 | C14 H10 F N3 | c1cc(ccc1c.... |
206 | 2GFS | ic50 = 0.7 uM | PQB | C19 H18 F N3 O4 | c1cc(cc(c1.... |
207 | 5N63 | - | 8OW | C21 H17 F N4 | c1ccc(cc1).... |
208 | 2NPQ | Kd = 3.08 uM | BOG | C14 H28 O6 | CCCCCCCCO[.... |
209 | 3IW6 | Kd = 3.29 uM | PP0 | C23 H31 N3 O3 | CCn1c(c(c(.... |
210 | 3S4Q | ic50 = 4 nM | NK0 | C25 H23 N5 O2 | Cc1ccc(cc1.... |
211 | 2BAJ | Kd = 4 nM | 1PP | C20 H20 Cl2 N4 O | CC(C)(C)c1.... |
212 | 3ROC | - | 29B | C14 H10 F N3 | c1cc(ccc1c.... |
213 | 3NWW | ic50 = 7 nM | 3NW | C24 H34 N8 O S | CCNC(=O)NC.... |
214 | 1W83 | ic50 = 0.065 uM | L11 | C23 H25 Cl F N3 O3 | c1cc(cnc1).... |
215 | 3ZSH | - | 469 | C27 H30 Cl F N4 O3 | C[C@@H]1C[.... |
216 | 3IPH | Ki = 0.0000251 mM | G11 | C21 H23 N3 O2 | Cc1ccc(cc1.... |
217 | 5MZ3 | ic50 = 0.00021 uM | 8EN | C24 H19 F3 N4 O2 | Cc1ccc(cc1.... |
218 | 3P7B | ic50 = 0.018 uM | P7B | C25 H28 N4 O3 S | CC(C)(C)c1.... |
219 | 3GCQ | Kd = 342 nM | 1BU | C29 H30 N8 O | Cc1cccc(c1.... |
220 | 4F9Y | Ki = 184 nM | LM3 | C21 H18 N4 | CN(C)c1cc(.... |
221 | 2BAL | Kd = 490 nM | PQA | C21 H21 F N4 O2 | c1cc(cc(c1.... |
222 | 3HUB | Kd = 8.2 nM | 469 | C27 H30 Cl F N4 O3 | C[C@@H]1C[.... |
223 | 4F9W | Ki = 114 nM | LM4 | C21 H18 N4 | CN(C)c1cc(.... |
224 | 3P5K | ic50 = 0.076 uM | P5K | C24 H27 N3 O4 S2 | CC(C)(C)c1.... |
225 | 2I0H | ic50 = 9 nM | 222 | C27 H19 Cl2 F N4 O3 | c1ccc2c(c1.... |
226 | 1ZYJ | ic50 = 1.5 uM | BI5 | C19 H16 N2 O2 | c1ccc(cc1).... |
227 | 3K3I | - | JZJ | C18 H16 Br N3 | c1ccc2c(c1.... |
228 | 1WBT | ic50 = 0.34 uM | WBT | C26 H25 F N4 O2 | c1cc(cc2c1.... |
229 | 1BMK | - | SB5 | C17 H16 F N5 | c1cc(ccc1c.... |
230 | 3E92 | Ki = 10 nM | G6A | C21 H21 N3 O2 | Cc1ccc(cc1.... |
231 | 3P7A | ic50 = 0.52 uM | P7A | C23 H27 N3 O3 S2 | CC(C)(C)c1.... |
232 | 6ANL | ic50 = 240 nM | T75 | C24 H21 N3 O S | CCc1nc(c(s.... |
233 | 3NNX | ic50 = 11 nM | EDD | C22 H23 Cl2 N5 O2 | CC(C)(C)C1.... |
234 | 4EH4 | - | IRG | C17 H16 N4 | c1ccc(cc1).... |
235 | 1KV1 | Kd = 1.16 uM | BMU | C15 H19 Cl N4 O | CC(C)(C)c1.... |
236 | 3KF7 | ic50 = 40 nM | L9G | C22 H18 F2 N4 O | Cc1ccc(cc1.... |
237 | 4KIN | ic50 = 4.8 nM | 1M8 | C22 H19 Cl N2 O2 S | Cc1ccc(cc1.... |
238 | 4AA4 | ic50 = 9 nM | QC0 | C25 H25 N5 O3 | Cc1ccc(cc1.... |
239 | 5XYY | ic50 = 9.221 uM | P0F | C15 H12 Cl F N4 O | c1cc(cc(c1.... |
240 | 3E93 | Ki = 1.4 nM | 19B | C30 H32 N4 O3 | Cc1ccc(cc1.... |
241 | 4AAC | ic50 = 16 nM | AAV | C24 H24 N6 O3 | Cc1ccc(cc1.... |
242 | 4AA0 | ic50 = 35 nM | AA0 | C30 H33 N7 O3 | Cc1ccc(cc1.... |
243 | 1OZ1 | ic50 = 6.5 nM | FPH | C18 H12 F N3 O | c1cc2c(c(c.... |
244 | 5N64 | - | 8OH | C19 H16 N4 S | c1ccc(cc1).... |
245 | 3IW8 | Kd = 13.4 uM | HIZ | C19 H18 Cl F N4 O2 S | c1ccc(cc1).... |
246 | 3TTI | ic50 = 0.006 uM | KBI | C21 H23 F3 N6 O2 | c1c(cc(c(c.... |
247 | 3TTJ | ic50 = 0.21 uM | JBI | C23 H23 F N6 O | COc1ccc(cc.... |
248 | 1JNK | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
249 | 3KVX | ic50 = 0.148 uM | FMY | C26 H27 F N8 O2 | c1cc(ccc1/.... |
250 | 4H39 | Kd = 0.8 uM | PRO LYS ARG PRO THR THR LEU ASN LEU PHE | n/a | n/a |
251 | 4AWI | ic50 = 1 uM | AQ2 | C21 H25 N3 O4 S2 | CC(C)c1cc2.... |
252 | 2O0U | ic50 = 3.2 uM | C0M | C27 H28 N4 O2 S | c1ccc2c(c1.... |
253 | 2P33 | ic50 = 57 nM | J07 | C20 H23 Cl N6 O | CCNC(=O)N1.... |
254 | 2ZDU | - | 446 | C28 H23 Br N2 O6 | COC(=O)C1=.... |
255 | 2B1P | ic50 = 3 nM | AIZ | C26 H26 Cl N5 O3 | CN(C)CCCC(.... |
256 | 2OK1 | Ki = 0.55 uM | 33A | C21 H17 Cl N4 O | c1ccc(cc1).... |
257 | 3OXI | ic50 = 2.2 uM | SYY | C12 H11 N O3 S2 | COC(=O)c1c.... |
258 | 3OY1 | ic50 = 0.016 uM | 589 | C28 H31 N5 O2 | c1ccc2cc(c.... |
259 | 6EMH | ic50 = 833 nM | BGE | C19 H21 N5 O | Cc1c([nH]c.... |
260 | 2ZDT | - | 46C | C26 H20 Cl N O4 | CCC(=O)C1=.... |
261 | 3ELJ | - | GS7 | C22 H21 F N6 O4 S | COc1cc(ccc.... |
262 | 3FI2 | ic50 = 0.025 uM | JK1 | C26 H25 N5 O5 | COc1cc(cc(.... |
263 | 4L7F | ic50 = 160 nM | 1V5 | C26 H26 F N5 O2 | c1cc(ccc1C.... |
264 | 6EQ9 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
265 | 2WAJ | ic50 = 0.398 uM | SNB | C16 H13 Br Cl N O | COc1cc2c(c.... |
266 | 4QTD | ic50 = 1080 nM | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
267 | 6EKD | ic50 = 184 nM | B9K | C20 H23 N5 O S | Cc1c([nH]c.... |
268 | 3G9L | Ki = 0.74 uM | J67 | C25 H19 F N2 O4 | c1ccc(cc1).... |
269 | 4Y46 | ic50 = 11 nM | 4F2 | C22 H32 N6 O2 | CC(C)NC(=O.... |
270 | 1PMN | ic50 = 7.1 nM | 984 | C25 H30 Cl2 N6 | CCCn1c(c(n.... |
271 | 3FI3 | ic50 = 12 nM | JK2 | C29 H25 F N4 O4 | COc1cc(cc(.... |
272 | 2O2U | ic50 = 4 uM | 738 | C16 H13 F N2 O S | c1ccc(c(c1.... |
273 | 4W4V | ic50 = 866 nM | 3H8 | C23 H19 Cl N6 O2 | Cc1cc(ccn1.... |
274 | 3DA6 | - | BZ9 | C28 H23 N7 O | Cc1cc(c2cc.... |
275 | 2R9S | ic50 = 0.15 uM | 255 | C24 H24 N4 O2 S | CC(C)(C)NS.... |
276 | 4Y5H | ic50 = 15 nM | 519 | C20 H30 N6 O2 | CC(C)NC(=O.... |
277 | 4X21 | Kd = 36 nM | 3WH | C20 H23 I N6 O | CCNC(=O)N1.... |
278 | 3RTP | ic50 = 7 nM | 34I | C18 H14 N6 O2 S | c1ccc2c(c1.... |
279 | 3PZE | - | CFK | C12 H11 N3 O2 S | c1ccc(cc1).... |
280 | 4Z9L | ic50 = 1.6 nM | 880 | C27 H34 Cl2 N6 | CCCn1c(c(n.... |
281 | 4WHZ | ic50 < 1 nM | 3NL | C24 H23 Cl N8 O2 | c1ccc(c(c1.... |
282 | 4W4Y | ic50 = 3034 nM | 3HQ | C24 H22 N6 O2 | Cc1ccc(cc1.... |
283 | 4W4W | ic50 = 6630 nM | 3HJ | C23 H20 N6 O2 | Cc1cc(ccn1.... |
284 | 3G90 | Ki = 0.44 uM | J72 | C17 H12 F2 N2 O4 | c1cc2c(cc1.... |
285 | 1PMV | ic50 = 150 nM | 537 | C14 H8 N2 O | c1ccc2c(c1.... |
286 | 3GC8 | - | B45 | C28 H27 Cl3 F N3 O | CC(C)N1CCC.... |
287 | 3GC9 | - | B45 | C28 H27 Cl3 F N3 O | CC(C)N1CCC.... |
288 | 2PVH | Ki = 0.26 uM | P19 | C17 H14 N6 | c1ccc(cc1).... |
289 | 5BYZ | ic50 = 0.042 uM | 4WE | C25 H32 F N7 O | Cc1ncc(n1C.... |
290 | 6HKN | ic50 = 0.051 uM | G9E | C22 H21 F3 N4 O3 | COc1ccc2c(.... |
291 | 4ZSJ | ic50 = 2.3 uM | 4R0 | C13 H17 Cl N6 O | Cc1cc(ccc1.... |
292 | 4ZSG | - | 4QX | C12 H15 Cl N6 O | CC(C)NC(=O.... |
293 | 6HKM | ic50 = 270 nM | G92 | C23 H22 F3 N3 O4 | COc1cc2c(c.... |
294 | 6KO6 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
295 | 2F9G | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
296 | 2B9F | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
297 | 5AWM | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
298 | 4EYM | - | 0RX | C21 H20 N4 O3 | c1cc(ccc1N.... |
299 | 5EKO | ic50 = 15785 nM | N17 | C22 H18 N4 O2 | Cc1cn(cn1).... |
300 | 4EYJ | - | N61 | C20 H23 N5 O2 | CC(C)(C)c1.... |
301 | 1CM8 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
302 | 4QTB | Kd = 0.084 uM | 38Z | C33 H33 N9 O2 | c1cnc(nc1).... |
303 | 2ZOQ | ic50 = 0.9 uM | 5ID | C11 H13 I N4 O4 | c1c(c2c(nc.... |
304 | 6GES | - | EWH | C24 H26 Cl N7 O | CN1CCN(CC1.... |
305 | 3NPC | - | B96 | C31 H37 N5 O3 | Cc1ccc(cc1.... |
306 | 3E7O | ic50 = 120 nM | 35F | C20 H14 N6 O2 | c1cc(cc(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ANP | 1 | 1 |
2 | A2D | 0.810811 | 0.945205 |
3 | AP5 | 0.802632 | 0.945205 |
4 | B4P | 0.802632 | 0.945205 |
5 | ADP | 0.802632 | 0.972222 |
6 | BA3 | 0.789474 | 0.945205 |
7 | AU1 | 0.782051 | 1 |
8 | ATP | 0.772152 | 0.972222 |
9 | HEJ | 0.772152 | 0.972222 |
10 | AN2 | 0.769231 | 0.986111 |
11 | AT4 | 0.769231 | 0.933333 |
12 | 5FA | 0.7625 | 0.972222 |
13 | AQP | 0.7625 | 0.972222 |
14 | M33 | 0.759494 | 0.932432 |
15 | MAP | 0.752941 | 0.972973 |
16 | ACP | 0.75 | 0.945946 |
17 | AR6 | 0.740741 | 0.945205 |
18 | APR | 0.740741 | 0.945205 |
19 | ACQ | 0.73494 | 0.945946 |
20 | SAP | 0.731707 | 0.921053 |
21 | AD9 | 0.731707 | 0.945946 |
22 | AGS | 0.731707 | 0.921053 |
23 | KG4 | 0.728395 | 0.92 |
24 | AMP | 0.723684 | 0.944444 |
25 | A | 0.723684 | 0.944444 |
26 | ATF | 0.717647 | 0.933333 |
27 | ADX | 0.716049 | 0.851852 |
28 | CA0 | 0.716049 | 0.92 |
29 | 6YZ | 0.709302 | 0.945946 |
30 | 50T | 0.707317 | 0.932432 |
31 | PRX | 0.698795 | 0.87013 |
32 | 45A | 0.696203 | 0.893333 |
33 | ABM | 0.696203 | 0.893333 |
34 | HQG | 0.681818 | 0.958904 |
35 | AP2 | 0.679012 | 0.933333 |
36 | A12 | 0.679012 | 0.933333 |
37 | APC | 0.678571 | 0.933333 |
38 | T99 | 0.674419 | 0.933333 |
39 | TAT | 0.674419 | 0.933333 |
40 | A22 | 0.674157 | 0.958904 |
41 | SRA | 0.670886 | 0.894737 |
42 | SRP | 0.670455 | 0.883117 |
43 | 8LE | 0.666667 | 0.871795 |
44 | 5AL | 0.666667 | 0.906667 |
45 | ADP MG | 0.662651 | 0.917808 |
46 | A1R | 0.659341 | 0.884615 |
47 | ADQ | 0.659341 | 0.92 |
48 | A3R | 0.659341 | 0.884615 |
49 | 8LH | 0.651685 | 0.883117 |
50 | BIS | 0.648936 | 0.909091 |
51 | 3OD | 0.648936 | 0.92 |
52 | 5SV | 0.648352 | 0.82716 |
53 | 9X8 | 0.645161 | 0.896104 |
54 | OAD | 0.645161 | 0.92 |
55 | 25L | 0.642105 | 0.958904 |
56 | AMO | 0.641304 | 0.907895 |
57 | 8LQ | 0.637363 | 0.883117 |
58 | G5P | 0.636364 | 0.897436 |
59 | 00A | 0.634409 | 0.860759 |
60 | DLL | 0.634409 | 0.906667 |
61 | AHX | 0.634409 | 0.897436 |
62 | APC MG | 0.632184 | 0.893333 |
63 | ATP MG | 0.632184 | 0.917808 |
64 | ADV | 0.632184 | 0.907895 |
65 | ADP PO3 | 0.632184 | 0.917808 |
66 | RBY | 0.632184 | 0.907895 |
67 | NB8 | 0.631579 | 0.897436 |
68 | 25A | 0.630435 | 0.945205 |
69 | 8QN | 0.630435 | 0.906667 |
70 | OZV | 0.630435 | 0.945205 |
71 | OOB | 0.630435 | 0.906667 |
72 | G3A | 0.626263 | 0.897436 |
73 | PAJ | 0.623656 | 0.8625 |
74 | 4AD | 0.623656 | 0.896104 |
75 | LAD | 0.621053 | 0.839506 |
76 | 1ZZ | 0.614583 | 0.819277 |
77 | TXA | 0.614583 | 0.907895 |
78 | ME8 | 0.614583 | 0.819277 |
79 | GTA | 0.613861 | 0.864198 |
80 | 9ZA | 0.612903 | 0.909091 |
81 | 9ZD | 0.612903 | 0.909091 |
82 | 3UK | 0.610526 | 0.894737 |
83 | SON | 0.604651 | 0.907895 |
84 | ADP ALF | 0.604396 | 0.848101 |
85 | ALF ADP | 0.604396 | 0.848101 |
86 | PR8 | 0.604167 | 0.829268 |
87 | B5V | 0.604167 | 0.883117 |
88 | WAQ | 0.604167 | 0.860759 |
89 | 4UV | 0.6 | 0.871795 |
90 | GAP | 0.6 | 0.87013 |
91 | PTJ | 0.597938 | 0.873418 |
92 | FYA | 0.597938 | 0.881579 |
93 | ADP VO4 | 0.597826 | 0.906667 |
94 | VO4 ADP | 0.597826 | 0.906667 |
95 | LMS | 0.597561 | 0.829268 |
96 | UP5 | 0.596154 | 0.896104 |
97 | FA5 | 0.59596 | 0.883117 |
98 | YAP | 0.59596 | 0.871795 |
99 | PAP | 0.595506 | 0.958333 |
100 | A4P | 0.59434 | 0.823529 |
101 | XAH | 0.59 | 0.841463 |
102 | 4UU | 0.588235 | 0.871795 |
103 | AFH | 0.588235 | 0.8625 |
104 | 9SN | 0.585859 | 0.85 |
105 | 2A5 | 0.58427 | 0.894737 |
106 | T5A | 0.583333 | 0.821429 |
107 | DQV | 0.582524 | 0.932432 |
108 | NAI | 0.580952 | 0.884615 |
109 | B5Y | 0.58 | 0.871795 |
110 | B5M | 0.58 | 0.871795 |
111 | ITT | 0.579545 | 0.917808 |
112 | ATR | 0.577778 | 0.944444 |
113 | OMR | 0.575472 | 0.831325 |
114 | 5AS | 0.574713 | 0.781609 |
115 | 48N | 0.571429 | 0.873418 |
116 | YLP | 0.571429 | 0.8 |
117 | AP0 | 0.570093 | 0.873418 |
118 | 4TC | 0.570093 | 0.873418 |
119 | 7D3 | 0.569767 | 0.881579 |
120 | ADJ | 0.568807 | 0.831325 |
121 | 9GM | 0.568421 | 0.922078 |
122 | GNP | 0.568421 | 0.922078 |
123 | DAL AMP | 0.568421 | 0.881579 |
124 | NAX | 0.566038 | 0.851852 |
125 | 4UW | 0.566038 | 0.839506 |
126 | TXD | 0.566038 | 0.884615 |
127 | NXX | 0.566038 | 0.907895 |
128 | DND | 0.566038 | 0.907895 |
129 | 6V0 | 0.566038 | 0.873418 |
130 | RAB | 0.565789 | 0.821918 |
131 | ADN | 0.565789 | 0.821918 |
132 | XYA | 0.565789 | 0.821918 |
133 | AOC | 0.564706 | 0.8 |
134 | 7D4 | 0.561798 | 0.881579 |
135 | ADP BMA | 0.561224 | 0.894737 |
136 | TYM | 0.560748 | 0.883117 |
137 | TXE | 0.560748 | 0.884615 |
138 | GA7 | 0.557692 | 0.883117 |
139 | YLB | 0.555556 | 0.8 |
140 | YLC | 0.555556 | 0.819277 |
141 | 139 | 0.554545 | 0.851852 |
142 | 5N5 | 0.551282 | 0.797297 |
143 | JB6 | 0.55 | 0.860759 |
144 | LAQ | 0.54717 | 0.819277 |
145 | F2R | 0.544643 | 0.843373 |
146 | MYR AMP | 0.544554 | 0.797619 |
147 | A4D | 0.544304 | 0.797297 |
148 | 5CD | 0.544304 | 0.783784 |
149 | 80F | 0.54386 | 0.821429 |
150 | 7MD | 0.542857 | 0.864198 |
151 | 6AD | 0.542553 | 0.886076 |
152 | A2R | 0.541667 | 0.958904 |
153 | UPA | 0.541284 | 0.884615 |
154 | YLA | 0.540541 | 0.8 |
155 | A A | 0.54 | 0.918919 |
156 | COD | 0.539823 | 0.793103 |
157 | BTX | 0.539823 | 0.821429 |
158 | JSQ | 0.537634 | 0.921053 |
159 | G5A | 0.537634 | 0.781609 |
160 | HFD | 0.537634 | 0.921053 |
161 | AYB | 0.535714 | 0.790698 |
162 | CNA | 0.535714 | 0.907895 |
163 | 3DH | 0.535714 | 0.753247 |
164 | BT5 | 0.535088 | 0.811765 |
165 | ATP A | 0.533981 | 0.905405 |
166 | ATP A A A | 0.533981 | 0.905405 |
167 | IOT | 0.531532 | 0.811765 |
168 | MTA | 0.53012 | 0.753247 |
169 | 3AM | 0.529412 | 0.90411 |
170 | A3P | 0.52809 | 0.944444 |
171 | NAD | 0.526316 | 0.906667 |
172 | PPS | 0.526316 | 0.851852 |
173 | NO7 | 0.525773 | 0.907895 |
174 | EP4 | 0.52439 | 0.734177 |
175 | AMP DBH | 0.52381 | 0.87013 |
176 | 7D5 | 0.52381 | 0.855263 |
177 | J7C | 0.522727 | 0.75 |
178 | H1Q | 0.521739 | 0.88 |
179 | A5A | 0.520833 | 0.809524 |
180 | EAD | 0.520661 | 0.851852 |
181 | TSB | 0.520408 | 0.821429 |
182 | AHZ | 0.518519 | 0.797619 |
183 | M2T | 0.518072 | 0.716049 |
184 | DTA | 0.518072 | 0.766234 |
185 | 6RE | 0.517241 | 0.740741 |
186 | A3D | 0.517241 | 0.894737 |
187 | YLY | 0.516949 | 0.790698 |
188 | SSA | 0.515464 | 0.802326 |
189 | NA7 | 0.514852 | 0.933333 |
190 | ARG AMP | 0.514019 | 0.809524 |
191 | AR6 AR6 | 0.514019 | 0.893333 |
192 | 7MC | 0.513514 | 0.843373 |
193 | A2P | 0.511111 | 0.930556 |
194 | 52H | 0.510204 | 0.781609 |
195 | VMS | 0.510204 | 0.790698 |
196 | 54H | 0.510204 | 0.790698 |
197 | TYR AMP | 0.509434 | 0.848101 |
198 | TAD | 0.509259 | 0.8625 |
199 | NAQ | 0.508333 | 0.85 |
200 | A3N | 0.505618 | 0.766234 |
201 | AV2 | 0.505155 | 0.893333 |
202 | 53H | 0.50505 | 0.781609 |
203 | 5CA | 0.50505 | 0.802326 |
204 | 8X1 | 0.50505 | 0.755556 |
205 | ARU | 0.504951 | 0.839506 |
206 | ZID | 0.504132 | 0.894737 |
207 | P1H | 0.504 | 0.831325 |
208 | AVV | 0.5 | 0.873418 |
209 | 3AT | 0.5 | 0.945205 |
210 | NAE | 0.5 | 0.871795 |
211 | 6MZ | 0.5 | 0.905405 |
212 | P5A | 0.495146 | 0.747253 |
213 | LSS | 0.49505 | 0.764045 |
214 | NSS | 0.49505 | 0.802326 |
215 | DSZ | 0.49505 | 0.802326 |
216 | N0B | 0.491803 | 0.8 |
217 | AF3 ADP 3PG | 0.491071 | 0.817073 |
218 | NVA LMS | 0.490196 | 0.755556 |
219 | DAT | 0.489362 | 0.881579 |
220 | IMO | 0.488889 | 0.90411 |
221 | ZAS | 0.488636 | 0.792208 |
222 | FDA | 0.488372 | 0.813953 |
223 | NAJ PZO | 0.487395 | 0.85 |
224 | 4TA | 0.487179 | 0.788235 |
225 | LPA AMP | 0.486486 | 0.797619 |
226 | LEU LMS | 0.485437 | 0.755556 |
227 | DTP | 0.484536 | 0.881579 |
228 | V3L | 0.484536 | 0.945205 |
229 | GJV | 0.483516 | 0.731707 |
230 | S4M | 0.483516 | 0.651685 |
231 | DZD | 0.483051 | 0.8625 |
232 | 2AM | 0.482759 | 0.917808 |
233 | 5AD | 0.481013 | 0.726027 |
234 | GSU | 0.480769 | 0.781609 |
235 | KAA | 0.480769 | 0.755556 |
236 | NDE | 0.480315 | 0.907895 |
237 | M24 | 0.479339 | 0.851852 |
238 | MAO | 0.478261 | 0.761905 |
239 | NEC | 0.477778 | 0.727273 |
240 | DSH | 0.477778 | 0.707317 |
241 | FAS | 0.477273 | 0.831325 |
242 | FAD | 0.477273 | 0.831325 |
243 | RGT | 0.476636 | 0.933333 |
244 | 9K8 | 0.47619 | 0.698925 |
245 | G A A A | 0.474576 | 0.85 |
246 | 0WD | 0.474576 | 0.897436 |
247 | FNK | 0.474074 | 0.786517 |
248 | 5X8 | 0.473684 | 0.74359 |
249 | 6FA | 0.473282 | 0.821429 |
250 | NDC | 0.472868 | 0.85 |
251 | FB0 | 0.472868 | 0.786517 |
252 | YSA | 0.472222 | 0.781609 |
253 | 7DD | 0.468085 | 0.958333 |
254 | OVE | 0.466667 | 0.881579 |
255 | MHZ | 0.463158 | 0.701149 |
256 | 8PZ | 0.462963 | 0.802326 |
257 | AMP NAD | 0.462185 | 0.881579 |
258 | A G | 0.462185 | 0.860759 |
259 | N5O | 0.461538 | 0.74359 |
260 | A3G | 0.461538 | 0.779221 |
261 | NAJ PYZ | 0.459677 | 0.809524 |
262 | 6C6 | 0.459184 | 0.858974 |
263 | LQJ | 0.458716 | 0.893333 |
264 | B1U | 0.458716 | 0.758242 |
265 | SFG | 0.458333 | 0.730769 |
266 | U A G G | 0.458333 | 0.860759 |
267 | 7D7 | 0.45679 | 0.723684 |
268 | 128 | 0.45614 | 0.8 |
269 | SFD | 0.455224 | 0.736842 |
270 | 6IA | 0.454545 | 0.817073 |
271 | DDS | 0.454545 | 0.855263 |
272 | GDP | 0.454545 | 0.896104 |
273 | ODP | 0.453782 | 0.886076 |
274 | NJP | 0.453782 | 0.921053 |
275 | 7DT | 0.453608 | 0.958333 |
276 | J4G | 0.45283 | 0.896104 |
277 | A7D | 0.452632 | 0.75641 |
278 | Z5A | 0.452381 | 0.802326 |
279 | WSA | 0.452174 | 0.790698 |
280 | N5A | 0.451613 | 0.717949 |
281 | U A | 0.45082 | 0.884615 |
282 | 7C5 | 0.45045 | 0.797468 |
283 | FAY | 0.449275 | 0.841463 |
284 | NDP | 0.449153 | 0.897436 |
285 | SA8 | 0.44898 | 0.690476 |
286 | A5D | 0.44898 | 0.766234 |
287 | 71V | 0.446809 | 0.884615 |
288 | GGZ | 0.446602 | 0.804878 |
289 | RFL | 0.446043 | 0.802326 |
290 | 2SA | 0.445545 | 0.907895 |
291 | SAI | 0.444444 | 0.716049 |
292 | SAH | 0.444444 | 0.725 |
293 | GP3 | 0.444444 | 0.897436 |
294 | A A A | 0.443396 | 0.881579 |
295 | PO4 PO4 A A A A PO4 | 0.443396 | 0.878378 |
296 | 4YB | 0.442478 | 0.764045 |
297 | S7M | 0.441176 | 0.674419 |
298 | GTP | 0.441176 | 0.896104 |
299 | SMM | 0.441176 | 0.670455 |
300 | Y3J | 0.440476 | 0.706667 |
301 | SAM | 0.44 | 0.674419 |
302 | 649 | 0.439655 | 0.747253 |
303 | 12D | 0.438596 | 0.809524 |
304 | A3S | 0.4375 | 0.789474 |
305 | NPW | 0.436975 | 0.864198 |
306 | GCP | 0.436893 | 0.873418 |
307 | EEM | 0.435644 | 0.674419 |
308 | GNH | 0.435644 | 0.909091 |
309 | AAT | 0.435644 | 0.690476 |
310 | ETB | 0.435484 | 0.813953 |
311 | DCA | 0.435484 | 0.804598 |
312 | KOY | 0.434783 | 0.782051 |
313 | N6P | 0.433962 | 0.890411 |
314 | TXP | 0.433333 | 0.897436 |
315 | NZQ | 0.433333 | 0.886076 |
316 | PGS | 0.43299 | 0.860759 |
317 | APU | 0.432203 | 0.871795 |
318 | PUA | 0.432 | 0.8625 |
319 | 62F | 0.431655 | 0.841463 |
320 | F2N | 0.431507 | 0.795455 |
321 | DA | 0.430108 | 0.855263 |
322 | D5M | 0.430108 | 0.855263 |
323 | J7V | 0.429688 | 0.813953 |
324 | A3T | 0.428571 | 0.8 |
325 | 6K6 | 0.428571 | 0.905405 |
326 | NIA | 0.428571 | 0.848101 |
327 | 0T1 | 0.428571 | 0.804598 |
328 | COA | 0.428571 | 0.804598 |
329 | P5F | 0.427586 | 0.804598 |
330 | AAM | 0.425532 | 0.944444 |
331 | 0UM | 0.424528 | 0.682353 |
332 | 8Q2 | 0.423729 | 0.775281 |
333 | G1R | 0.423077 | 0.884615 |
334 | C2R | 0.422222 | 0.88 |
335 | AMZ | 0.422222 | 0.891892 |
336 | A U | 0.420168 | 0.848101 |
337 | IDP | 0.42 | 0.894737 |
338 | GSP | 0.419048 | 0.851852 |
339 | CAO | 0.418605 | 0.777778 |
340 | 1DG | 0.418605 | 0.897436 |
341 | AMX | 0.418605 | 0.813953 |
342 | COS | 0.418605 | 0.786517 |
343 | 30N | 0.418605 | 0.736842 |
344 | DG1 | 0.418605 | 0.897436 |
345 | TM1 | 0.418182 | 0.797619 |
346 | 9BG | 0.418033 | 0.873418 |
347 | A6D | 0.416667 | 0.746988 |
348 | K15 | 0.416667 | 0.666667 |
349 | V1N | 0.415929 | 0.893333 |
350 | CMX | 0.415385 | 0.804598 |
351 | SCO | 0.415385 | 0.804598 |
352 | GEK | 0.415094 | 0.719512 |
353 | NHD | 0.414634 | 0.881579 |
354 | XNP | 0.414634 | 0.851852 |
355 | AIR | 0.413793 | 0.876712 |
356 | 9JJ | 0.413793 | 0.841463 |
357 | COK | 0.413534 | 0.786517 |
358 | G2R | 0.412844 | 0.8625 |
359 | ACO | 0.412214 | 0.777778 |
360 | FCX | 0.412214 | 0.777778 |
361 | FAM | 0.412214 | 0.786517 |
362 | NAP | 0.410853 | 0.92 |
363 | FA9 | 0.409396 | 0.843373 |
364 | SXZ | 0.409091 | 0.694118 |
365 | HAX | 0.409091 | 0.806818 |
366 | TAP | 0.407692 | 0.884615 |
367 | 62X | 0.407407 | 0.651685 |
368 | 2MC | 0.407407 | 0.752688 |
369 | GKE | 0.40708 | 0.8625 |
370 | GDD | 0.40708 | 0.8625 |
371 | GDC | 0.40708 | 0.8625 |
372 | FYN | 0.406015 | 0.804598 |
373 | 3KK | 0.406015 | 0.786517 |
374 | NVA 2AD | 0.405941 | 0.740741 |
375 | NA0 | 0.40458 | 0.907895 |
376 | 101 | 0.404255 | 0.855263 |
377 | 5GP | 0.40404 | 0.883117 |
378 | G | 0.40404 | 0.883117 |
379 | HDV | 0.403846 | 0.87013 |
380 | MGP | 0.403846 | 0.8625 |
381 | SOP | 0.402985 | 0.786517 |
382 | OXK | 0.402985 | 0.786517 |
383 | MCD | 0.402985 | 0.786517 |
384 | CA6 | 0.402985 | 0.714286 |
385 | YZS | 0.402985 | 0.714286 |
386 | KGP | 0.402985 | 0.714286 |
387 | 3AD | 0.402299 | 0.783784 |
388 | S8M | 0.401869 | 0.78481 |
389 | YE1 | 0.40146 | 0.795455 |
390 | 1VU | 0.4 | 0.777778 |
391 | 6G0 | 0.4 | 0.8625 |
392 | GMV | 0.4 | 0.873418 |
393 | CMC | 0.4 | 0.786517 |
394 | 2VA | 0.4 | 0.779221 |
395 | NMX | 0.4 | 0.782609 |
396 | CO6 | 0.4 | 0.786517 |
397 | 7RP | 0.4 | 0.902778 |
This union binding pocket(no: 1) in the query (biounit: 6k3l.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5DMZ | ADP | 13.9053 |
2 | 4YZN | 4K5 | 18.0473 |
3 | 3SRV | S19 | 20.7101 |
4 | 5WNL | STU | 21.0059 |
5 | 3E8N | ATP | 26.3314 |
6 | 3E8N | VRA | 26.3314 |
7 | 5HVJ | ANP | 28.4024 |
8 | 4N70 | 2HX | 28.9941 |
9 | 2A19 | ANP | 29.2899 |
10 | 5DBX | ANP | 29.8817 |
11 | 5DBX | ANP | 29.8817 |
12 | 2F2U | M77 | 31.0651 |
13 | 2WQN | ADP | 32.2581 |
14 | 2Z7R | STU | 32.5444 |
15 | 3DAK | ANP | 33.7931 |
16 | 3DAK | ANP | 33.7931 |
17 | 3DAK | ANP | 33.7931 |
18 | 4WB6 | ATP | 34.0237 |
19 | 3V8S | 0HD | 34.0237 |
20 | 3V8S | 0HD | 34.0237 |
21 | 4NW6 | 2NS | 34.0237 |
22 | 3V8S | 0HD | 34.0237 |
23 | 3V8S | 0HD | 34.0237 |
24 | 4WNP | 3RJ | 34.8432 |
25 | 4WNP | 3RJ | 34.8432 |
26 | 2QCS | ANP | 34.9112 |
27 | 3M2W | L8I | 37.8698 |
28 | 4BFM | ANP | 39.3491 |
29 | 3KN5 | ANP | 39.3846 |
30 | 6QF4 | ADP | 40.5325 |
31 | 3C0G | 3AM | 40.5325 |
32 | 3RWP | ABQ | 40.8284 |
33 | 3RWP | ABQ | 40.8284 |
34 | 5LI1 | ANP | 41.1243 |
35 | 5LVP | ATP | 41.716 |
36 | 4F9C | 0SX | 42.6035 |
37 | 6P5S | 3NG | 43.1953 |
38 | 1PHK | ATP | 43.2886 |
39 | 2JLD | AG1 | 44.0828 |
40 | 4NM5 | ADP | 44.0828 |
41 | 2VN9 | GVD | 44.5183 |
42 | 2VN9 | GVD | 44.5183 |
43 | 5JZJ | AN2 | 44.7811 |
44 | 4UX9 | ANP | 46.4497 |
45 | 4UX9 | ANP | 46.4497 |
46 | 6FYL | 3NG | 47.0414 |
47 | 6FYV | 3NG | 47.929 |
48 | 4H3P | ANP | 49.1124 |
49 | 4H3P | ANP | 49.1124 |
50 | 4H3Q | ANP | 49.1124 |