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- 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 19 families. | |||||
1 | 4BAQ | Ki = 0.98 nM | M4Z | C24 H36 N6 O3 | [H]/N=C(/c.... |
2 | 2C8Z | ic50 > 1 mM | C2A | C7 H8 Cl N | c1cc(cc(c1.... |
3 | 1C1W | - | BAH | C17 H18 N8 O2 | c1cc2c(cc1.... |
4 | 4BAH | Ki = 2.01 nM | MEL | C22 H31 N5 O4 | c1cc(ccc1C.... |
5 | 2C90 | ic50 = 330 uM | C1M | C7 H5 Cl N4 | c1cc(ccc1n.... |
6 | 6ZUH | ic50 = 27 nM | N6H | C22 H24 Cl N3 O4 | CC1(CN(CCO.... |
7 | 3SHC | Ki = 1.9 uM | B01 | C20 H23 Cl N4 O2 | c1ccc(cc1).... |
8 | 6T3Q | Ki = 379 nM | M6Q | C20 H25 N5 O2 | c1ccc(cc1).... |
9 | 3SI3 | Ki = 69.3 uM | B03 | C20 H24 N4 O2 | c1ccc(cc1).... |
10 | 4BAM | Ki = 1.14 nM | MM9 | C24 H36 N6 O3 | [H]/N=C(/c.... |
11 | 4YES | Ki = 9.6 nM | 45S | C19 H23 Cl N4 O2 | Cc1ccc([nH.... |
12 | 3DUX | Ki = 100 nM | 64U | C21 H30 Cl N3 O2 | c1cc(cc(c1.... |
13 | 1K22 | Ki = 4 nM | MEL | C22 H31 N5 O4 | c1cc(ccc1C.... |
14 | 2ZHQ | Ki = 0.75 uM | 27U | C22 H26 N4 O2 | [H]/N=C(/c.... |
15 | 3HAT | - | MBN ABN RNG GLY VAL ARG | n/a | n/a |
16 | 2ZGX | Ki = 180 nM | 29U | C17 H25 N5 O2 | [H]/N=C(/c.... |
17 | 2ZC9 | Ki = 180 nM | 22U | C21 H24 Cl N3 O2 | c1ccc(cc1).... |
18 | 3UTU | Ki = 0.012 nM | 1TS | C32 H34 Cl N7 O6 S | [H]/N=C(/c.... |
19 | 1G32 | Ki = 780 nM | R11 | C25 H25 N7 | [H]/N=C(/c.... |
20 | 3F68 | Ki = 8.7 uM | 91U | C23 H32 Cl N3 O3 | CC(=O)N[C@.... |
21 | 2ZFP | Ki = 6.8 uM | 19U | C16 H22 Cl N3 O2 | CC[C@H](C(.... |
22 | 1A4W | Ki = 1.2 uM | QWE | C29 H40 N7 O4 S2 | CN(C)c1ccc.... |
23 | 2ZGB | Ki = 0.54 uM | 21U | C18 H26 Cl N3 O2 | CC(C)C[C@H.... |
24 | 3SI4 | Ki = 132.2 uM | B04 | C21 H27 N4 O2 | C[n+]1cccc.... |
25 | 2C8X | ic50 = 220 nM | C5M | C27 H33 Cl N2 O4 S | Cc1cc(c(c(.... |
26 | 1C5O | Ki = 320 uM | BAM | C7 H9 N2 | c1ccc(cc1).... |
27 | 2C8Y | - | C3M | C20 H22 N2 O3 S | c1ccc(cc1).... |
28 | 1D4P | Ka = 2000000 M^-1 | BPP | C22 H24 N4 O | [H]/N=C(c1.... |
29 | 3SHA | Ki = 2.6 uM | P97 | C20 H23 Cl N4 O2 | c1ccc(cc1).... |
30 | 6ZUU | ic50 = 3900 nM | QQN | C22 H24 Cl N3 O4 | C[C@@H]1CN.... |
31 | 2ZNK | Ki = 0.02 uM | 31U | C19 H29 N5 O2 | [H]/N=C(/c.... |
32 | 3QX5 | Ki = 63.5 uM | 02P | C21 H26 Cl N4 O2 | C[n+]1ccc(.... |
33 | 4BAK | Ki = 1.22 nM | M67 | C25 H38 N6 O3 | [H]/N=C(/c.... |
34 | 3P17 | Ki = 33.4 uM | 99P | C20 H24 N4 O2 | c1ccc(cc1).... |
35 | 6ZUN | ic50 = 10 nM | QQ5 | C22 H24 Cl N3 O4 | C[C@@H]1CN.... |
36 | 1GHV | Ki = 45 uM | 120 | C13 H12 N5 O | c1cc2c(cc1.... |
37 | 1C1U | - | BAI | C16 H14 N6 | c1ccc2c(c1.... |
38 | 6ZV7 | ic50 = 6 nM | QQW | C24 H28 Cl N3 O5 | C[C@@H]1CN.... |
39 | 2ZI2 | Ki = 5.7 uM | 24U | C17 H24 N4 O2 | [H]/N=C(/c.... |
40 | 1QBV | Ki = 4100 nM | PPX | C21 H27 N5 O2 | c1ccc(cc1).... |
41 | 3EGK | Ki = 22 uM | M18 | C20 H27 Cl N2 O5 | CC(C)(C)OC.... |
42 | 1D3P | Ka = 24300000 M^-1 | BT3 | C32 H37 N3 O3 S | c1cc(ccc1C.... |
43 | 1A2C | ic50 = 0.5 uM | 34H LEU PRJ OAR | n/a | n/a |
44 | 6EO9 | Ki = 160 nM | 2OJ | C40 H50 Cl N3 O14 S | CC(C)N1CCC.... |
45 | 6ZUX | ic50 = 4 nM | QQE | C24 H28 Cl N3 O5 | C[C@H]1CN(.... |
46 | 3QTV | Ki = 22.5 uM | 06P | C21 H27 N4 O2 | C[n+]1ccc(.... |
47 | 1AIX | - | T19 | C32 H34 B N3 O6 | B([C@H](C(.... |
48 | 2ZDA | - | 32U | C22 H28 N5 O2 | c1ccc(cc1).... |
49 | 1K21 | Ki = 4.2 nM | IGN | C21 H38 N6 O4 | C1CCC(CC1).... |
50 | 4BAN | Ki = 2.43 nM | M6S | C23 H34 N6 O3 | [H]/N=C(/c.... |
51 | 6ROT | Ki = 483.63 nM | KDQ | C22 H26 Cl N3 O5 S | c1ccc(cc1).... |
52 | 6T4A | Ki = 140 nM | J5K | C20 H25 N5 O2 | c1ccc(cc1).... |
53 | 1G30 | Ki = 140 nM | T87 | C29 H31 N7 O3 | [H]/N=C(/c.... |
54 | 6EO8 | Ki = 100 nM | 2FN | C32 H42 Cl N3 O10 S | CC(C)N1CCC.... |
55 | 1MU6 | Ki = 4.2 nM | CDA | C20 H19 F3 N6 O2 | CC1=CN=C(C.... |
56 | 1FPC | Ki = 0.1 uM | 0ZI | C25 H39 N6 O3 S | NULL |
57 | 6TDT | Ki = 1213 nM | LXW | C26 H28 N4 O2 | c1ccc(cc1).... |
58 | 2ZF0 | - | 51U | C22 H27 N3 O2 | Cc1cccc(c1.... |
59 | 1W7G | Ki ~ 13 uM | MIU | C20 H32 F3 N7 O3 S | c1cc(cc(c1.... |
60 | 3DHK | Ki = 47 nM | 23U | C27 H28 Cl N3 O2 | c1ccc(cc1).... |
61 | 2ZDV | - | 37U | C21 H24 F N3 O2 | c1ccc(cc1).... |
62 | 2ZO3 | Ki = 0.1 nM | 33U | C28 H31 N5 O2 | [H]/N=C(/c.... |
63 | 1NRS | - | LEU ASP PRO ARG | n/a | n/a |
64 | 3TU7 | Ki = 8.17 nM | 0BM | C22 H34 N6 O4 S | [H]/N=C(N).... |
65 | 6GBW | Ki = 3.51 nM | EU5 | C26 H36 Cl N7 O4 S | [H]/N=C(N).... |
66 | 6ZUW | ic50 = 0.4 nM | QQK | C26 H32 Cl N3 O5 | CC[C@@H]1C.... |
67 | 1KTS | Ki = 4.5 nM | C24 | C27 H29 N7 O3 | CCOC(=O)CC.... |
68 | 1GHY | Ki = 0.008 uM | 121 | C13 H12 N5 O | c1cc(c(nc1.... |
69 | 1MU8 | Ki = 1 nM | CDB | C21 H23 F3 N6 O2 | Cc1ccnc(c1.... |
70 | 1MUE | Ki = 2.3 nM | CDD | C20 H17 Cl F3 N5 O3 | c1ccc(c(c1.... |
71 | 2C8W | ic50 = 3.7 nM | C7M | C25 H30 Cl N6 O4 S | COc1ccc(cc.... |
72 | 1O5G | Ki = 11 uM | CR9 | C21 H23 F N4 O2 | C[C@H]1CCC.... |
73 | 1BCU | Kd = 0.53 mM | PRL | C13 H11 N3 | c1cc(cc2c1.... |
74 | 3QTO | Ki = 74.8 uM | 10P | C21 H27 N4 O2 | C[n+]1cccc.... |
75 | 1GHW | Ki = 4 uM | BMZ | C14 H13 N4 O | c1ccc(c(c1.... |
76 | 1C1V | Ki = 0.023 uM | BAB | C17 H19 N8 | c1cc2c(cc1.... |
77 | 1TOM | Ki = 5 nM | MIN | C22 H34 N4 O2 | CN[C@H](Cc.... |
78 | 1KTT | ic50 = 1.5 uM | C02 | C22 H21 N5 O2 S | Cn1c2ccc(c.... |
79 | 6ZV8 | ic50 = 0.7 nM | QQT | C24 H27 Cl F N3 O5 | C[C@H]1CN(.... |
80 | 3SV2 | Ki = 64 uM | P05 | C20 H24 N4 O2 | c1ccc(cc1).... |
81 | 1O2G | Ki = 0.76 uM | 696 | C21 H17 N3 O | c1ccc(cc1).... |
82 | 2C93 | ic50 = 12 uM | C4M | C20 H28 N2 O4 S | Cc1cc(c(c(.... |
83 | 4LXB | ic50 = 7 nM | 7R9 | C26 H32 Cl F2 N5 O6 S2 | CN(C)[C@H].... |
84 | 3QWC | Ki = 55.4 uM | 98P | C21 H26 Cl N4 O2 | C[n+]1ccc(.... |
85 | 1D3D | Ka = 1240000000 M^-1 | BZT | C32 H35 Br N2 O2 S | c1cc(ccc1c.... |
86 | 4UFG | - | D6J | C29 H35 N5 O4 S | CC[C@@H](C.... |
87 | 5AFZ | Kd = 0.16 uM | UET | C26 H29 N5 O4 S | c1ccc(cc1).... |
88 | 4UE7 | Kd = 107 uM | MRZ | C6 H13 N3 | [H]/N=C(N).... |
89 | 3BIU | - | 10U | C20 H29 N5 O2 | c1cc(ccc1C.... |
90 | 4UFF | - | 6V2 | C27 H31 N5 O4 S | [H]/N=C(c1.... |
91 | 5AHG | - | Y4L | C8 H11 Cl N2 O2 S | CN(C)S(=O).... |
92 | 3BIV | - | 11U | C21 H31 N5 O2 | [H]/N=C(/c.... |
93 | 4AX9 | Ki = 0.00027 uM | N5N | C26 H34 N6 O6 S | [H]/N=C(/N.... |
94 | 4UEH | Kd = 355 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
95 | 4UFD | - | S49 | C29 H33 N5 O4 S | [H]/N=C(/c.... |
96 | 2V3O | - | I26 | C24 H33 F N4 O3 | [H]/N=C(/c.... |
97 | 5AF9 | Kd = 1003 uM | SJR | C13 H12 N2 O2 | COc1ccc(cc.... |
98 | 4UD9 | Kd = 475 uM | FQI | C5 H4 Cl N O S | c1cc(sc1C(.... |
99 | 1T4U | - | 81A | C20 H25 N3 O7 S2 | [H]/N=C(N).... |
100 | 2R2M | Ki = 47.1 nM | I50 | C19 H21 Cl F3 N5 O2 | [H]/N=C(/N.... |
101 | 5AFY | - | WCE | C7 H6 Cl N O | c1cc(cc(c1.... |
102 | 6ZUG | ic50 = 12 nM | QPW | C24 H28 Cl N3 O4 | CCCN(C[C@@.... |
103 | 1T4V | Ki = 0.021 uM | 14A | C19 H27 Cl N4 O3 | C=CCN(C1CC.... |
104 | 4UFE | - | 3ZD | C27 H31 N5 O4 S | [H]/N=C(c1.... |
105 | 4UDW | Kd = 0.27 uM | N6L | C21 H23 Cl2 N3 O2 | c1ccc(cc1).... |
106 | 2CF8 | Ki = 0.008 uM | ESH | C26 H31 Cl N4 O | [H]/N=C(c1.... |
107 | 2CF9 | Ki = 0.015 uM | 348 | C27 H34 N4 O2 | [H]/N=C(c1.... |
108 | 1VZQ | Ki = 36 nM | SHY | C24 H24 N4 O5 | [H]/N=C(c1.... |
109 | 1C4V | Ki = 0.016 nM | IH2 | C30 H36 N6 O3 | [H]/N=C(C1.... |
110 | 2V3H | - | I25 | C24 H34 N4 O3 | [H]/N=C(/c.... |
111 | 2CN0 | Ki = 22 nM | F25 | C24 H27 F3 N4 O | c1cc(ccc1C.... |
112 | 1OYT | Ki = 0.057 uM | FSN | C23 H24 F N4 O2 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 16 families. | |||||
1 | 4BAQ | Ki = 0.98 nM | M4Z | C24 H36 N6 O3 | [H]/N=C(/c.... |
2 | 2C8Z | ic50 > 1 mM | C2A | C7 H8 Cl N | c1cc(cc(c1.... |
3 | 1C1W | - | BAH | C17 H18 N8 O2 | c1cc2c(cc1.... |
4 | 4BAH | Ki = 2.01 nM | MEL | C22 H31 N5 O4 | c1cc(ccc1C.... |
5 | 2C90 | ic50 = 330 uM | C1M | C7 H5 Cl N4 | c1cc(ccc1n.... |
6 | 6ZUH | ic50 = 27 nM | N6H | C22 H24 Cl N3 O4 | CC1(CN(CCO.... |
7 | 3SHC | Ki = 1.9 uM | B01 | C20 H23 Cl N4 O2 | c1ccc(cc1).... |
8 | 6T3Q | Ki = 379 nM | M6Q | C20 H25 N5 O2 | c1ccc(cc1).... |
9 | 3SI3 | Ki = 69.3 uM | B03 | C20 H24 N4 O2 | c1ccc(cc1).... |
10 | 4BAM | Ki = 1.14 nM | MM9 | C24 H36 N6 O3 | [H]/N=C(/c.... |
11 | 4YES | Ki = 9.6 nM | 45S | C19 H23 Cl N4 O2 | Cc1ccc([nH.... |
12 | 3DUX | Ki = 100 nM | 64U | C21 H30 Cl N3 O2 | c1cc(cc(c1.... |
13 | 1K22 | Ki = 4 nM | MEL | C22 H31 N5 O4 | c1cc(ccc1C.... |
14 | 2ZHQ | Ki = 0.75 uM | 27U | C22 H26 N4 O2 | [H]/N=C(/c.... |
15 | 3HAT | - | MBN ABN RNG GLY VAL ARG | n/a | n/a |
16 | 2ZGX | Ki = 180 nM | 29U | C17 H25 N5 O2 | [H]/N=C(/c.... |
17 | 2ZC9 | Ki = 180 nM | 22U | C21 H24 Cl N3 O2 | c1ccc(cc1).... |
18 | 3UTU | Ki = 0.012 nM | 1TS | C32 H34 Cl N7 O6 S | [H]/N=C(/c.... |
19 | 1G32 | Ki = 780 nM | R11 | C25 H25 N7 | [H]/N=C(/c.... |
20 | 3F68 | Ki = 8.7 uM | 91U | C23 H32 Cl N3 O3 | CC(=O)N[C@.... |
21 | 2ZFP | Ki = 6.8 uM | 19U | C16 H22 Cl N3 O2 | CC[C@H](C(.... |
22 | 1A4W | Ki = 1.2 uM | QWE | C29 H40 N7 O4 S2 | CN(C)c1ccc.... |
23 | 2ZGB | Ki = 0.54 uM | 21U | C18 H26 Cl N3 O2 | CC(C)C[C@H.... |
24 | 3SI4 | Ki = 132.2 uM | B04 | C21 H27 N4 O2 | C[n+]1cccc.... |
25 | 2C8X | ic50 = 220 nM | C5M | C27 H33 Cl N2 O4 S | Cc1cc(c(c(.... |
26 | 1C5O | Ki = 320 uM | BAM | C7 H9 N2 | c1ccc(cc1).... |
27 | 2C8Y | - | C3M | C20 H22 N2 O3 S | c1ccc(cc1).... |
28 | 1D4P | Ka = 2000000 M^-1 | BPP | C22 H24 N4 O | [H]/N=C(c1.... |
29 | 3SHA | Ki = 2.6 uM | P97 | C20 H23 Cl N4 O2 | c1ccc(cc1).... |
30 | 6ZUU | ic50 = 3900 nM | QQN | C22 H24 Cl N3 O4 | C[C@@H]1CN.... |
31 | 2ZNK | Ki = 0.02 uM | 31U | C19 H29 N5 O2 | [H]/N=C(/c.... |
32 | 3QX5 | Ki = 63.5 uM | 02P | C21 H26 Cl N4 O2 | C[n+]1ccc(.... |
33 | 4BAK | Ki = 1.22 nM | M67 | C25 H38 N6 O3 | [H]/N=C(/c.... |
34 | 3P17 | Ki = 33.4 uM | 99P | C20 H24 N4 O2 | c1ccc(cc1).... |
35 | 6ZUN | ic50 = 10 nM | QQ5 | C22 H24 Cl N3 O4 | C[C@@H]1CN.... |
36 | 1GHV | Ki = 45 uM | 120 | C13 H12 N5 O | c1cc2c(cc1.... |
37 | 1C1U | - | BAI | C16 H14 N6 | c1ccc2c(c1.... |
38 | 6ZV7 | ic50 = 6 nM | QQW | C24 H28 Cl N3 O5 | C[C@@H]1CN.... |
39 | 2ZI2 | Ki = 5.7 uM | 24U | C17 H24 N4 O2 | [H]/N=C(/c.... |
40 | 1QBV | Ki = 4100 nM | PPX | C21 H27 N5 O2 | c1ccc(cc1).... |
41 | 3EGK | Ki = 22 uM | M18 | C20 H27 Cl N2 O5 | CC(C)(C)OC.... |
42 | 1D3P | Ka = 24300000 M^-1 | BT3 | C32 H37 N3 O3 S | c1cc(ccc1C.... |
43 | 1A2C | ic50 = 0.5 uM | 34H LEU PRJ OAR | n/a | n/a |
44 | 6EO9 | Ki = 160 nM | 2OJ | C40 H50 Cl N3 O14 S | CC(C)N1CCC.... |
45 | 6ZUX | ic50 = 4 nM | QQE | C24 H28 Cl N3 O5 | C[C@H]1CN(.... |
46 | 3QTV | Ki = 22.5 uM | 06P | C21 H27 N4 O2 | C[n+]1ccc(.... |
47 | 1AIX | - | T19 | C32 H34 B N3 O6 | B([C@H](C(.... |
48 | 2ZDA | - | 32U | C22 H28 N5 O2 | c1ccc(cc1).... |
49 | 1K21 | Ki = 4.2 nM | IGN | C21 H38 N6 O4 | C1CCC(CC1).... |
50 | 4BAN | Ki = 2.43 nM | M6S | C23 H34 N6 O3 | [H]/N=C(/c.... |
51 | 6ROT | Ki = 483.63 nM | KDQ | C22 H26 Cl N3 O5 S | c1ccc(cc1).... |
52 | 6T4A | Ki = 140 nM | J5K | C20 H25 N5 O2 | c1ccc(cc1).... |
53 | 1G30 | Ki = 140 nM | T87 | C29 H31 N7 O3 | [H]/N=C(/c.... |
54 | 6EO8 | Ki = 100 nM | 2FN | C32 H42 Cl N3 O10 S | CC(C)N1CCC.... |
55 | 1MU6 | Ki = 4.2 nM | CDA | C20 H19 F3 N6 O2 | CC1=CN=C(C.... |
56 | 1FPC | Ki = 0.1 uM | 0ZI | C25 H39 N6 O3 S | NULL |
57 | 6TDT | Ki = 1213 nM | LXW | C26 H28 N4 O2 | c1ccc(cc1).... |
58 | 2ZF0 | - | 51U | C22 H27 N3 O2 | Cc1cccc(c1.... |
59 | 1W7G | Ki ~ 13 uM | MIU | C20 H32 F3 N7 O3 S | c1cc(cc(c1.... |
60 | 3DHK | Ki = 47 nM | 23U | C27 H28 Cl N3 O2 | c1ccc(cc1).... |
61 | 2ZDV | - | 37U | C21 H24 F N3 O2 | c1ccc(cc1).... |
62 | 2ZO3 | Ki = 0.1 nM | 33U | C28 H31 N5 O2 | [H]/N=C(/c.... |
63 | 1NRS | - | LEU ASP PRO ARG | n/a | n/a |
64 | 3TU7 | Ki = 8.17 nM | 0BM | C22 H34 N6 O4 S | [H]/N=C(N).... |
65 | 6GBW | Ki = 3.51 nM | EU5 | C26 H36 Cl N7 O4 S | [H]/N=C(N).... |
66 | 6ZUW | ic50 = 0.4 nM | QQK | C26 H32 Cl N3 O5 | CC[C@@H]1C.... |
67 | 1KTS | Ki = 4.5 nM | C24 | C27 H29 N7 O3 | CCOC(=O)CC.... |
68 | 1GHY | Ki = 0.008 uM | 121 | C13 H12 N5 O | c1cc(c(nc1.... |
69 | 1MU8 | Ki = 1 nM | CDB | C21 H23 F3 N6 O2 | Cc1ccnc(c1.... |
70 | 1MUE | Ki = 2.3 nM | CDD | C20 H17 Cl F3 N5 O3 | c1ccc(c(c1.... |
71 | 2C8W | ic50 = 3.7 nM | C7M | C25 H30 Cl N6 O4 S | COc1ccc(cc.... |
72 | 1O5G | Ki = 11 uM | CR9 | C21 H23 F N4 O2 | C[C@H]1CCC.... |
73 | 1BCU | Kd = 0.53 mM | PRL | C13 H11 N3 | c1cc(cc2c1.... |
74 | 3QTO | Ki = 74.8 uM | 10P | C21 H27 N4 O2 | C[n+]1cccc.... |
75 | 1GHW | Ki = 4 uM | BMZ | C14 H13 N4 O | c1ccc(c(c1.... |
76 | 1C1V | Ki = 0.023 uM | BAB | C17 H19 N8 | c1cc2c(cc1.... |
77 | 1TOM | Ki = 5 nM | MIN | C22 H34 N4 O2 | CN[C@H](Cc.... |
78 | 1KTT | ic50 = 1.5 uM | C02 | C22 H21 N5 O2 S | Cn1c2ccc(c.... |
79 | 6ZV8 | ic50 = 0.7 nM | QQT | C24 H27 Cl F N3 O5 | C[C@H]1CN(.... |
80 | 3SV2 | Ki = 64 uM | P05 | C20 H24 N4 O2 | c1ccc(cc1).... |
81 | 1O2G | Ki = 0.76 uM | 696 | C21 H17 N3 O | c1ccc(cc1).... |
82 | 2C93 | ic50 = 12 uM | C4M | C20 H28 N2 O4 S | Cc1cc(c(c(.... |
83 | 4LXB | ic50 = 7 nM | 7R9 | C26 H32 Cl F2 N5 O6 S2 | CN(C)[C@H].... |
84 | 3QWC | Ki = 55.4 uM | 98P | C21 H26 Cl N4 O2 | C[n+]1ccc(.... |
85 | 1D3D | Ka = 1240000000 M^-1 | BZT | C32 H35 Br N2 O2 S | c1cc(ccc1c.... |
86 | 4UFG | - | D6J | C29 H35 N5 O4 S | CC[C@@H](C.... |
87 | 5AFZ | Kd = 0.16 uM | UET | C26 H29 N5 O4 S | c1ccc(cc1).... |
88 | 4UE7 | Kd = 107 uM | MRZ | C6 H13 N3 | [H]/N=C(N).... |
89 | 3BIU | - | 10U | C20 H29 N5 O2 | c1cc(ccc1C.... |
90 | 4UFF | - | 6V2 | C27 H31 N5 O4 S | [H]/N=C(c1.... |
91 | 5AHG | - | Y4L | C8 H11 Cl N2 O2 S | CN(C)S(=O).... |
92 | 3BIV | - | 11U | C21 H31 N5 O2 | [H]/N=C(/c.... |
93 | 4AX9 | Ki = 0.00027 uM | N5N | C26 H34 N6 O6 S | [H]/N=C(/N.... |
94 | 4UEH | Kd = 355 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
95 | 4UFD | - | S49 | C29 H33 N5 O4 S | [H]/N=C(/c.... |
96 | 2V3O | - | I26 | C24 H33 F N4 O3 | [H]/N=C(/c.... |
97 | 5AF9 | Kd = 1003 uM | SJR | C13 H12 N2 O2 | COc1ccc(cc.... |
98 | 4UD9 | Kd = 475 uM | FQI | C5 H4 Cl N O S | c1cc(sc1C(.... |
99 | 1T4U | - | 81A | C20 H25 N3 O7 S2 | [H]/N=C(N).... |
100 | 2R2M | Ki = 47.1 nM | I50 | C19 H21 Cl F3 N5 O2 | [H]/N=C(/N.... |
101 | 5AFY | - | WCE | C7 H6 Cl N O | c1cc(cc(c1.... |
102 | 6ZUG | ic50 = 12 nM | QPW | C24 H28 Cl N3 O4 | CCCN(C[C@@.... |
103 | 1T4V | Ki = 0.021 uM | 14A | C19 H27 Cl N4 O3 | C=CCN(C1CC.... |
104 | 4UFE | - | 3ZD | C27 H31 N5 O4 S | [H]/N=C(c1.... |
105 | 4UDW | Kd = 0.27 uM | N6L | C21 H23 Cl2 N3 O2 | c1ccc(cc1).... |
106 | 2CF8 | Ki = 0.008 uM | ESH | C26 H31 Cl N4 O | [H]/N=C(c1.... |
107 | 2CF9 | Ki = 0.015 uM | 348 | C27 H34 N4 O2 | [H]/N=C(c1.... |
108 | 1VZQ | Ki = 36 nM | SHY | C24 H24 N4 O5 | [H]/N=C(c1.... |
109 | 2HGT | - | DPN PRO ARG | n/a | n/a |
110 | 3VXE | - | DPN PRO ARG | n/a | n/a |
111 | 1C4V | Ki = 0.016 nM | IH2 | C30 H36 N6 O3 | [H]/N=C(C1.... |
112 | 2V3H | - | I25 | C24 H34 N4 O3 | [H]/N=C(/c.... |
113 | 2CN0 | Ki = 22 nM | F25 | C24 H27 F3 N4 O | c1cc(ccc1C.... |
114 | 1OYT | Ki = 0.057 uM | FSN | C23 H24 F N4 O2 | c1cc(ccc1C.... |
115 | 1TMT | - | DPN PRO ARG | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 124 | 0.9861 |
2 | 122 | 0.9845 |
3 | 22M | 0.9744 |
4 | 205 | 0.9673 |
5 | MI2 | 0.9618 |
6 | 0NJ | 0.9479 |
7 | 23M | 0.9422 |
8 | 3MI | 0.9397 |
9 | WG8 | 0.9386 |
10 | 47X | 0.9384 |
11 | LC1 | 0.9362 |
12 | 907 | 0.9344 |
13 | 1R5 | 0.9329 |
14 | ZTW | 0.9307 |
15 | 397 | 0.9306 |
16 | 1V8 | 0.9294 |
17 | 68C | 0.9286 |
18 | 39R | 0.9269 |
19 | D26 | 0.9255 |
20 | 97K | 0.9255 |
21 | 7G2 | 0.9254 |
22 | 7EH | 0.9244 |
23 | MBT | 0.9239 |
24 | OLU | 0.9233 |
25 | 0UL | 0.9230 |
26 | AO | 0.9221 |
27 | 5TU | 0.9215 |
28 | 5ER | 0.9214 |
29 | ESJ | 0.9198 |
30 | 3K1 | 0.9194 |
31 | EES | 0.9192 |
32 | 1DR | 0.9191 |
33 | D25 | 0.9190 |
34 | U14 | 0.9183 |
35 | 08C | 0.9178 |
36 | NIF | 0.9173 |
37 | SJR | 0.9171 |
38 | J84 | 0.9171 |
39 | 40N | 0.9170 |
40 | 5TT | 0.9169 |
41 | U55 | 0.9160 |
42 | T21 | 0.9157 |
43 | Z3R | 0.9154 |
44 | LU2 | 0.9154 |
45 | 27F | 0.9150 |
46 | RF2 | 0.9149 |
47 | G2V | 0.9145 |
48 | 6H2 | 0.9136 |
49 | 1UZ | 0.9132 |
50 | 4UM | 0.9131 |
51 | 2OX | 0.9127 |
52 | 135 | 0.9126 |
53 | 245 | 0.9122 |
54 | IDZ | 0.9121 |
55 | ZAR | 0.9118 |
56 | BBP | 0.9118 |
57 | 1HP | 0.9113 |
58 | 6P3 | 0.9112 |
59 | VGV | 0.9110 |
60 | A05 | 0.9107 |
61 | RGK | 0.9104 |
62 | BMC | 0.9101 |
63 | 1UR | 0.9101 |
64 | WA1 | 0.9100 |
65 | 4FC | 0.9098 |
66 | NKI | 0.9097 |
67 | 2UV | 0.9092 |
68 | GEN | 0.9088 |
69 | BSU | 0.9086 |
70 | A63 | 0.9083 |
71 | 1V3 | 0.9081 |
72 | A8D | 0.9079 |
73 | 6QT | 0.9079 |
74 | GJG | 0.9079 |
75 | SNV | 0.9078 |
76 | P4T | 0.9074 |
77 | A9B | 0.9072 |
78 | II4 | 0.9066 |
79 | MR4 | 0.9066 |
80 | 7FZ | 0.9066 |
81 | 338 | 0.9060 |
82 | TEF | 0.9059 |
83 | 1XS | 0.9058 |
84 | F18 | 0.9056 |
85 | TVZ | 0.9052 |
86 | 1V0 | 0.9049 |
87 | C0V | 0.9044 |
88 | WLH | 0.9044 |
89 | 20D | 0.9043 |
90 | 29F | 0.9038 |
91 | F36 | 0.9036 |
92 | MKN | 0.9034 |
93 | 06R | 0.9030 |
94 | PIQ | 0.9028 |
95 | N5B | 0.9027 |
96 | 789 | 0.9027 |
97 | LUM | 0.9026 |
98 | MR5 | 0.9024 |
99 | LIG | 0.9023 |
100 | AJG | 0.9022 |
101 | 72H | 0.9021 |
102 | FCW | 0.9021 |
103 | M83 | 0.9016 |
104 | BX4 | 0.9016 |
105 | 8M5 | 0.9011 |
106 | DFL | 0.9009 |
107 | 1V1 | 0.9008 |
108 | 31F | 0.9004 |
109 | JL7 | 0.9004 |
110 | 3F4 | 0.8997 |
111 | Q8D | 0.8997 |
112 | 0DF | 0.8996 |
113 | J2N | 0.8993 |
114 | 1UT | 0.8991 |
115 | KWV | 0.8989 |
116 | Q11 | 0.8989 |
117 | Q8G | 0.8989 |
118 | 4CN | 0.8987 |
119 | 6DQ | 0.8986 |
120 | 7EL | 0.8983 |
121 | 25F | 0.8981 |
122 | SZ5 | 0.8976 |
123 | AJ4 | 0.8975 |
124 | A26 | 0.8975 |
125 | KHP | 0.8974 |
126 | BXS | 0.8974 |
127 | 6BK | 0.8974 |
128 | O53 | 0.8973 |
129 | S0D | 0.8969 |
130 | OA4 | 0.8967 |
131 | 5VU | 0.8966 |
132 | A73 | 0.8965 |
133 | AP6 | 0.8965 |
134 | 83D | 0.8961 |
135 | 90G | 0.8960 |
136 | PQM | 0.8953 |
137 | FBC | 0.8953 |
138 | LZ4 | 0.8952 |
139 | 0OK | 0.8951 |
140 | 5XM | 0.8949 |
141 | E98 | 0.8947 |
142 | 1V4 | 0.8946 |
143 | C4E | 0.8946 |
144 | A64 | 0.8945 |
145 | J3B | 0.8943 |
146 | SDN | 0.8943 |
147 | HMO | 0.8942 |
148 | NVS | 0.8941 |
149 | H50 | 0.8940 |
150 | 7ZO | 0.8939 |
151 | 18E | 0.8936 |
152 | 9CE | 0.8936 |
153 | 6FX | 0.8932 |
154 | XAV | 0.8931 |
155 | 1Q2 | 0.8929 |
156 | GVI | 0.8927 |
157 | 0MB | 0.8927 |
158 | F08 | 0.8927 |
159 | WF4 | 0.8926 |
160 | UAY | 0.8925 |
161 | 4AU | 0.8923 |
162 | HHB | 0.8923 |
163 | 90M | 0.8917 |
164 | 5S9 | 0.8915 |
165 | 2WU | 0.8914 |
166 | FHV | 0.8914 |
167 | PNW | 0.8913 |
168 | YZ9 | 0.8913 |
169 | S1C | 0.8912 |
170 | U13 | 0.8909 |
171 | XYP XYP | 0.8906 |
172 | 3WL | 0.8905 |
173 | 272 | 0.8902 |
174 | LZ7 | 0.8901 |
175 | CUE | 0.8901 |
176 | PRL | 0.8900 |
177 | M4N | 0.8899 |
178 | QUE | 0.8899 |
179 | LR8 | 0.8898 |
180 | A6W | 0.8898 |
181 | E92 | 0.8897 |
182 | IY5 | 0.8897 |
183 | 833 | 0.8896 |
184 | H4B | 0.8895 |
185 | 72G | 0.8893 |
186 | AZB | 0.8892 |
187 | NPS | 0.8890 |
188 | KLS | 0.8887 |
189 | 51Y | 0.8885 |
190 | KW7 | 0.8885 |
191 | W2E | 0.8884 |
192 | 7N8 | 0.8883 |
193 | MBE | 0.8883 |
194 | 7FU | 0.8879 |
195 | 6T5 | 0.8878 |
196 | 47V | 0.8878 |
197 | 1Q1 | 0.8876 |
198 | X8I | 0.8875 |
199 | AX1 | 0.8875 |
200 | 28A | 0.8875 |
201 | TID | 0.8875 |
202 | LJ5 | 0.8874 |
203 | GN5 | 0.8874 |
204 | 4UE | 0.8874 |
205 | AD6 | 0.8873 |
206 | 147 | 0.8871 |
207 | NRA | 0.8865 |
208 | 5WK | 0.8864 |
209 | U12 | 0.8862 |
210 | MT6 | 0.8862 |
211 | 7KE | 0.8861 |
212 | EI1 | 0.8859 |
213 | DX7 | 0.8859 |
214 | G1L | 0.8857 |
215 | AGI | 0.8856 |
216 | BP5 | 0.8854 |
217 | F40 | 0.8851 |
218 | WCU | 0.8850 |
219 | PQS | 0.8849 |
220 | U4J | 0.8847 |
221 | KU1 | 0.8846 |
222 | 4ZF | 0.8845 |
223 | L43 | 0.8843 |
224 | HRD | 0.8843 |
225 | 2ZI | 0.8840 |
226 | S98 | 0.8839 |
227 | NDD | 0.8839 |
228 | 32F | 0.8838 |
229 | IPJ | 0.8835 |
230 | STL | 0.8835 |
231 | HPX | 0.8835 |
232 | PNG | 0.8835 |
233 | 5YA | 0.8835 |
234 | 91F | 0.8834 |
235 | TVC | 0.8834 |
236 | IEE | 0.8834 |
237 | MR6 | 0.8833 |
238 | J45 | 0.8831 |
239 | CT0 | 0.8831 |
240 | Q92 | 0.8830 |
241 | TFX | 0.8830 |
242 | OSY | 0.8828 |
243 | PNJ | 0.8826 |
244 | 041 | 0.8825 |
245 | JCZ | 0.8824 |
246 | 92O | 0.8824 |
247 | 72D | 0.8822 |
248 | J1K | 0.8822 |
249 | A5W | 0.8821 |
250 | WDW | 0.8821 |
251 | FY8 | 0.8821 |
252 | L2K | 0.8820 |
253 | P7V | 0.8820 |
254 | L02 | 0.8820 |
255 | S45 | 0.8820 |
256 | 196 | 0.8818 |
257 | MRE | 0.8818 |
258 | 8V8 | 0.8817 |
259 | 613 | 0.8816 |
260 | 9C8 | 0.8816 |
261 | AQN | 0.8816 |
262 | 20N | 0.8807 |
263 | BIO | 0.8806 |
264 | 1CE | 0.8803 |
265 | 4AF | 0.8803 |
266 | OUA | 0.8799 |
267 | E8Z | 0.8798 |
268 | Y27 | 0.8797 |
269 | 4YE | 0.8797 |
270 | XYS XYS | 0.8796 |
271 | 5WW | 0.8795 |
272 | 1FE | 0.8794 |
273 | E6Q | 0.8793 |
274 | 1OT | 0.8791 |
275 | DFV | 0.8789 |
276 | 2J1 | 0.8787 |
277 | D64 | 0.8786 |
278 | JTE | 0.8786 |
279 | 697 | 0.8784 |
280 | 0SY | 0.8783 |
281 | NZ4 | 0.8781 |
282 | IXG | 0.8780 |
283 | YE6 | 0.8780 |
284 | 2QV | 0.8779 |
285 | 68B | 0.8778 |
286 | P4L | 0.8777 |
287 | Y3L | 0.8776 |
288 | UN9 | 0.8775 |
289 | E9L | 0.8775 |
290 | 5ZM | 0.8774 |
291 | 2P3 | 0.8773 |
292 | 3Q0 | 0.8773 |
293 | HDI | 0.8773 |
294 | PIT | 0.8772 |
295 | BO1 | 0.8771 |
296 | VT3 | 0.8770 |
297 | Z21 | 0.8769 |
298 | CBE | 0.8769 |
299 | 0ON | 0.8768 |
300 | QME | 0.8767 |
301 | M3W | 0.8766 |
302 | 26C | 0.8766 |
303 | ZRK | 0.8764 |
304 | ZUF | 0.8763 |
305 | 0DJ | 0.8761 |
306 | CDJ | 0.8760 |
307 | UN3 | 0.8758 |
308 | HWB | 0.8755 |
309 | OUG | 0.8755 |
310 | AVX | 0.8754 |
311 | GF7 | 0.8751 |
312 | 6DE | 0.8748 |
313 | 109 | 0.8748 |
314 | QIV | 0.8745 |
315 | S0A | 0.8745 |
316 | H2W | 0.8742 |
317 | 7L4 | 0.8741 |
318 | 8CC | 0.8740 |
319 | BON | 0.8739 |
320 | HUL | 0.8738 |
321 | 0RA | 0.8737 |
322 | LWA | 0.8735 |
323 | K0G | 0.8728 |
324 | CWE | 0.8726 |
325 | 1ZC | 0.8724 |
326 | EZL | 0.8722 |
327 | A5Q | 0.8720 |
328 | 6ZE | 0.8715 |
329 | W8L | 0.8714 |
330 | GA6 | 0.8713 |
331 | AJ1 | 0.8709 |
332 | HRM | 0.8709 |
333 | 5M2 | 0.8707 |
334 | 2PK | 0.8705 |
335 | DX8 | 0.8702 |
336 | JVB | 0.8699 |
337 | K7H | 0.8696 |
338 | 9JT | 0.8695 |
339 | FLP | 0.8690 |
340 | FTK | 0.8690 |
341 | H75 | 0.8688 |
342 | SNJ | 0.8687 |
343 | 6SD | 0.8686 |
344 | 4GU | 0.8684 |
345 | F1T | 0.8683 |
346 | 1EB | 0.8680 |
347 | 3DE | 0.8680 |
348 | BVB | 0.8679 |
349 | ERZ | 0.8676 |
350 | 6F3 | 0.8674 |
351 | O9Z | 0.8674 |
352 | VUP | 0.8672 |
353 | WW3 | 0.8671 |
354 | HH6 | 0.8669 |
355 | 797 | 0.8668 |
356 | FNT | 0.8667 |
357 | FYR | 0.8664 |
358 | LFN | 0.8662 |
359 | JTK | 0.8657 |
360 | 6JP | 0.8656 |
361 | MHB | 0.8655 |
362 | ITE | 0.8648 |
363 | FMH | 0.8648 |
364 | J8D | 0.8645 |
365 | JTN | 0.8642 |
366 | 3SU | 0.8641 |
367 | F02 | 0.8640 |
368 | 3CA | 0.8640 |
369 | 35K | 0.8639 |
370 | K3T | 0.8638 |
371 | YE7 | 0.8638 |
372 | 100 | 0.8637 |
373 | LVY | 0.8634 |
374 | LOT | 0.8631 |
375 | SWX | 0.8629 |
376 | 738 | 0.8626 |
377 | GAL PHB | 0.8625 |
378 | ZW2 | 0.8622 |
379 | IGP | 0.8621 |
380 | AWE | 0.8620 |
381 | NPZ | 0.8619 |
382 | 4DE | 0.8616 |
383 | 4CF | 0.8615 |
384 | JMM | 0.8614 |
385 | 2JX | 0.8613 |
386 | M16 | 0.8610 |
387 | JP8 | 0.8607 |
388 | S62 | 0.8602 |
389 | 6WU | 0.8599 |
390 | NU3 | 0.8598 |
391 | JVD | 0.8597 |
392 | JF8 | 0.8594 |
393 | 5B2 | 0.8592 |
394 | ENY | 0.8592 |
395 | 4ZW | 0.8591 |
396 | ECZ | 0.8591 |
397 | JNW | 0.8586 |
398 | KXN | 0.8581 |
399 | JRO | 0.8579 |
400 | 5SJ | 0.8571 |
401 | XYS AZI XYS | 0.8571 |
402 | 73E | 0.8568 |
403 | JKN | 0.8565 |
404 | VC3 | 0.8563 |
405 | E2N | 0.8560 |
406 | UMP | 0.8559 |
407 | T5J | 0.8557 |
408 | FQP | 0.8540 |
409 | BIH | 0.8538 |
410 | 28B | 0.8529 |