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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 4 families. | |||||
1 | 2Y82 | Ki = 4 nM | 930 | C24 H23 Cl F N3 O3 S | c1cc(cc2c1.... |
2 | 1KSN | Ki = 0.4 nM | FXV | C25 H27 N4 O4 | C[C@H]([C@.... |
3 | 1LPK | Ki = 28 nM | CBB | C25 H31 N5 O2 | [H]/N=C(C1.... |
4 | 1EZQ | Ki = 0.9 nM | RPR | C27 H30 N4 O3 | C[C@H]([C@.... |
5 | 2WYG | Ki = 2 nM | 461 | C20 H23 Cl F N3 O3 S2 | C[C@H](c1c.... |
6 | 2VH0 | Ki < 1 nM | GSI | C22 H25 Cl F N5 O3 S2 | CN(C)Cc1nc.... |
7 | 2BOH | Ki = 3 nM | IIA | C25 H27 Cl N4 O2 S | CC(C)N1CCC.... |
8 | 2J38 | Ki = 47 nM | GS5 | C19 H22 Cl N3 O5 S2 | C[C@@H](C(.... |
9 | 1F0R | Ki = 22 nM | 815 | C21 H19 N5 O3 S2 | c1cc2c(cc(.... |
10 | 2Y7Z | Ki = 2 nM | C0Z | C25 H26 Cl N3 O3 S | CN(C)[C@H].... |
11 | 1NFX | Ki = 3 nM | RDR | C22 H21 Cl N4 O4 S2 | c1cc(cc2c1.... |
12 | 2VH6 | Ki = 0.2 nM | GSV | C23 H22 Cl F N2 O5 S3 | CS(=O)(=O).... |
13 | 2Y81 | Ki = 2 nM | 931 | C24 H23 Cl F N3 O3 S | c1cc(cc2c1.... |
14 | 1NFY | Ki = 1.3 nM | RTR | C20 H19 Cl N4 O3 S2 | c1cc(ccc1C.... |
15 | 2J4I | Ki = 1 nM | GSJ | C23 H31 Cl N4 O6 S2 | CC(C)N(CCN.... |
16 | 2UWO | Ki = 2 nM | 701 | C18 H24 Cl N3 O5 S2 | C[C@@H](C(.... |
17 | 2J2U | Ki = 90 nM | GSQ | C19 H23 Cl N4 O5 S | C[C@@H](C(.... |
18 | 2Y7X | Ki = 1.3 nM | MZA | C23 H21 Cl F N3 O3 S | c1cc(cc2c1.... |
19 | 4Y79 | Ki = 11 nM | 4O6 | C19 H24 Cl N3 O5 S | C[C@@H](C(.... |
20 | 1LPG | Ki = 82 nM | IMA | C34 H36 N5 O2 | C[N+](C)(C.... |
21 | 2J94 | Ki = 534 nM | G15 | C17 H21 Cl N6 O5 S2 | C[C@@H](C(.... |
22 | 2CJI | Ki = 6 nM | GSK | C21 H24 Cl N3 O5 S | C[C@@H](C(.... |
23 | 1LPZ | Ki = 25 nM | CMB | C25 H22 Cl2 N4 O | Cc1cccc2c1.... |
24 | 2Y80 | Ki = 9 nM | 439 | C25 H26 Cl N3 O3 S | CN(C)[C@@H.... |
25 | 2UWL | Ki = 4 nM | 895 | C17 H22 Cl N3 O5 S2 | C[C@@H](C(.... |
26 | 2WYJ | Ki = 1 nM | 898 | C20 H23 Cl F N3 O3 S2 | C[C@@H](c1.... |
27 | 2UWP | Ki = 154 nM | 894 | C17 H24 Cl N3 O5 S2 | C[C@@H](C(.... |
28 | 4Y76 | - | 4O1 | C25 H32 Cl N5 O5 S | C[C@@H](C(.... |
29 | 2J34 | Ki = 15 nM | GS6 | C19 H22 Cl N3 O5 S2 | C[C@@H](C(.... |
30 | 1F0S | Ki = 18 nM | PR2 | C19 H17 N5 O3 S2 | c1cc2c(cc(.... |
31 | 1NFW | Ki = 1.1 nM | RRR | C18 H17 Cl N4 O3 S2 | c1cc(sc1C=.... |
32 | 2J95 | Ki = 4 nM | GSX | C19 H22 Cl N3 O5 S3 | C[C@@H](C(.... |
33 | 3K9X | ic50 = 4 nM | MBM | C28 H32 N6 O4 | Cc1cc2cc(c.... |
34 | 1G2L | Ki = 57 nM | T87 | C29 H31 N7 O3 | [H]/N=C(/c.... |
35 | 3SW2 | Ki = 4.71 nM | FI1 | C28 H29 Cl N4 O5 S | c1cc(cc2c1.... |
36 | 1XKB | Ki = 131 nM | 4PP | C23 H24 N4 O2 | c1cc(cc(c1.... |
37 | 1XKA | Ki = 131 nM | 4PP | C23 H24 N4 O2 | c1cc(cc(c1.... |
38 | 4BTU | ic50 = 0.5 nM | 6XS | C24 H28 Cl2 F N5 O5 S2 | CN1CCN(CC1.... |
39 | 4BTI | ic50 = 0.2 nM | 7R9 | C26 H32 Cl F2 N5 O6 S2 | CN(C)[C@H].... |
40 | 3HPT | Ki = 6.5 nM | YET | C23 H28 N6 O3 | Cc1cc2cc(c.... |
41 | 3ENS | ic50 = 8.9 nM | ENS | C25 H29 Cl N6 O4 | COC(=O)C(=.... |
42 | 1WU1 | ic50 = 18 nM | D91 | C26 H27 Cl N6 O3 S | CC(C)C[C@@.... |
43 | 4A7I | Ki = 0.002 uM | A7I | C15 H24 Cl N3 O3 S2 | CC(C)N1CCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 2Y82 | Ki = 4 nM | 930 | C24 H23 Cl F N3 O3 S | c1cc(cc2c1.... |
2 | 1KSN | Ki = 0.4 nM | FXV | C25 H27 N4 O4 | C[C@H]([C@.... |
3 | 1LPK | Ki = 28 nM | CBB | C25 H31 N5 O2 | [H]/N=C(C1.... |
4 | 1EZQ | Ki = 0.9 nM | RPR | C27 H30 N4 O3 | C[C@H]([C@.... |
5 | 2WYG | Ki = 2 nM | 461 | C20 H23 Cl F N3 O3 S2 | C[C@H](c1c.... |
6 | 2VH0 | Ki < 1 nM | GSI | C22 H25 Cl F N5 O3 S2 | CN(C)Cc1nc.... |
7 | 1NFU | Ki = 18 nM | RRP | C20 H19 Cl N4 O3 S2 | c1cc(cc(c1.... |
No: | Ligand | Similarity coefficient |
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