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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 214 families. | |||||
1 | 3RY9 | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
2 | 1XNN | Ki = 0.5 nM | HYQ | C20 H18 N2 O4 | c1ccc2c(c1.... |
3 | 2AMA | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
4 | 2AX9 | Ki = 0.3 nM | BHM | C11 H10 Br F3 N2 O4 | C[C@](CBr).... |
5 | 2AMB | - | 17H | C21 H28 O2 | CC[C@@]1(C.... |
6 | 4OEA | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
7 | 3B67 | - | B67 | C17 H10 F8 N2 O5 | C[C@](COc1.... |
8 | 2PIU | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
9 | 2YLO | - | TES | C19 H28 O2 | C[C@]12CC[.... |
10 | 2PNU | - | ENM | C27 H36 F2 O3 | C[C@]12CCC.... |
11 | 4HLW | - | 17W | C15 H14 N2 O S | c1ccc(cc1).... |
12 | 2PIQ | - | RB1 | C16 H19 N5 O | CC(C)(C)n1.... |
13 | 2HVC | - | LGD | C14 H9 F9 N2 O | c1cc2c(cc1.... |
14 | 2OZ7 | - | CA4 | C24 H29 Cl O4 | CC(=O)[C@].... |
15 | 3B65 | - | 3B6 | C18 H14 I N3 O3 | C[C@](COc1.... |
16 | 5CJ6 | Ki = 2.03 nM | 51Y | C14 H17 Cl N2 O | Cc1c(ccc(c.... |
17 | 4QL8 | ic50 = 0.7 nM | JAD | C15 H16 Cl N3 O2 | Cc1c(ccc(c.... |
18 | 3B5R | - | B5R | C18 H13 Cl F4 N2 O3 | C[C@](COc1.... |
19 | 2AX8 | - | FHM | C17 H14 F4 N2 O5 | C[C@](COc1.... |
20 | 2QPY | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
21 | 1T7T | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
22 | 1Z95 | Ki = 76 nM | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
23 | 3RLJ | - | RLJ | C19 H14 F3 N3 O3 | C[C@](COc1.... |
24 | 2AX7 | - | FHM | C17 H14 F4 N2 O5 | C[C@](COc1.... |
25 | 3ZQT | - | TES | C19 H28 O2 | C[C@]12CC[.... |
26 | 1GS4 | - | ZK5 | C21 H29 F O5 | C[C@]12CCC.... |
27 | 2AM9 | - | TES | C19 H28 O2 | C[C@]12CC[.... |
28 | 3B66 | - | B66 | C18 H16 F3 N3 O5 | C[C@](COc1.... |
29 | 2PIT | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
30 | 3G0W | Ki = 0.3 nM | LGB | C15 H13 Cl F3 N3 O2 | Cc1c(ccc(c.... |
31 | 1I38 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
32 | 2PIP | - | ICO | C9 H7 N O2 | c1ccc2c(c1.... |
33 | 5VO4 | ic50 = 3.2 nM | 9FG | C12 H9 F N2 O | Cn1c(ccc1c.... |
34 | 1E3G | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
35 | 3RLL | - | RLL | C23 H16 F3 N3 O3 | C[C@](COc1.... |
36 | 2AXA | Ki = 6.1 nM | FHM | C17 H14 F4 N2 O5 | C[C@](COc1.... |
37 | 2IHQ | Ki = 3.2 nM | LG7 | C17 H13 N3 O3 | c1ccc2c(c1.... |
38 | 3B68 | - | B68 | C19 H18 F3 N3 O6 | CC(=O)Nc1c.... |
39 | 2PIV | - | T3 | C15 H12 I3 N O4 | c1cc(c(cc1.... |
40 | 2PIX | - | FLF | C14 H10 F3 N O2 | c1ccc(c(c1.... |
41 | 2PIR | - | NK | C7 H6 O2 | c1ccc(c(c1.... |
42 | 2YHD | Ki = 23 uM | AV6 | C17 H14 N2 O2 | c1cc2cccc3.... |
43 | 2AX6 | - | HFT | C11 H11 F3 N2 O4 | CC(C)(C(=O.... |
44 | 2PKL | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
45 | 2PIO | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
46 | 1XQ3 | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
47 | 5V8Q | ic50 = 3.6 nM | 97A | C14 H13 F3 N2 O2 | CC[C@H]1[C.... |
48 | 4OJB | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
49 | 2YLQ | - | TES | C19 H28 O2 | C[C@]12CC[.... |
50 | 1I37 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
51 | 2YLP | - | TES | C19 H28 O2 | C[C@]12CC[.... |
52 | 3VHV | ic50 = 510 nM | LD1 | C18 H13 N5 O2 S | c1ccc(cc1).... |
53 | 1YA3 | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
54 | 2AAX | - | PDN | C21 H26 O5 | C[C@]12CC(.... |
55 | 2AA7 | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
56 | 4PF3 | ic50 = 51 nM | HFN | C21 H18 F3 N3 O3 | Cc1c(c(n(n.... |
57 | 2AB2 | - | SNL | C24 H32 O4 S | CC(=O)S[C@.... |
58 | 2AA2 | - | AS4 | C21 H28 O5 | C[C@]12CCC.... |
59 | 5HCV | Ki = 2 nM | 60R | C23 H16 F N O3 | c1ccc2c(c1.... |
60 | 2OAX | - | SNL | C24 H32 O4 S | CC(=O)S[C@.... |
61 | 1Y9R | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
62 | 2AA6 | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
63 | 1SQN | Kd = 0.4 nM | NDR | C20 H26 O2 | C[C@]12CC[.... |
64 | 3ZRB | - | OR8 | C17 H19 Cl N4 O3 S | Cc1c(c(on1.... |
65 | 4APU | - | OR8 | C17 H19 Cl N4 O3 S | Cc1c(c(on1.... |
66 | 3HQ5 | ic50 = 16 nM | GKK | C20 H19 Cl F3 N3 | C[N@]1CC[C.... |
67 | 1ZUC | ic50 = 1.7 nM | T98 | C16 H15 N3 O S | CC1(c2cc(c.... |
68 | 3ZR7 | - | OR8 | C17 H19 Cl N4 O3 S | Cc1c(c(on1.... |
69 | 1SR7 | Kd = 0.08 nM | MOF | C27 H30 Cl2 O6 | C[C@@H]1C[.... |
70 | 3D90 | - | NOG | C21 H28 O2 | CC[C@]12CC.... |
71 | 3ZRA | - | ORB | C18 H17 Cl F N3 O3 S | Cc1c(c(on1.... |
72 | 3G8O | ic50 = 125 nM | 30X | C15 H15 F6 N3 O | C[C@@H](C(.... |
73 | 3KBA | ic50 = 16 nM | WOW | C20 H22 Cl N3 O2 S | Cc1ccccc1C.... |
74 | 4A2J | - | AS0 | C28 H35 N O4 | C[C@]12C[C.... |
75 | 2W8Y | - | NDR | C20 H26 O2 | C[C@]12CC[.... |
76 | 1A28 | Ki = 5.1 nM | STR | C21 H30 O2 | CC(=O)[C@H.... |
77 | 1NHZ | - | 486 | C29 H35 N O2 | CC#C[C@@]1.... |
78 | 4LTW | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
79 | 2Q1H | - | AS4 | C21 H28 O5 | C[C@]12CCC.... |
80 | 2Q3Y | - | PRO ALA ILE LEU TYR ALA LEU LEU SER SER | n/a | n/a |
81 | 2Q1V | - | PDN | C21 H26 O5 | C[C@]12CC(.... |
82 | 6W9K | - | TUA | C21 H28 O5 | C[C@]12C[C.... |
83 | 5UC1 | - | 486 | C29 H35 N O2 | CC#C[C@@]1.... |
84 | 5L7H | Ki = 50 nM | 6QG | C21 H22 N2 O4 S | Cc1c-2c(on.... |
85 | 5L7E | Ki = 0.25 uM | 6Q0 | C18 H18 N2 O3 S | Cc1c(c(on1.... |
86 | 5L7G | Ki = 16 nM | 6QE | C22 H22 F2 N2 O4 S | Cc1c(c(on1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 3RY9 | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
2 | 1XNN | Ki = 0.5 nM | HYQ | C20 H18 N2 O4 | c1ccc2c(c1.... |
3 | 2AMA | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
4 | 2AX9 | Ki = 0.3 nM | BHM | C11 H10 Br F3 N2 O4 | C[C@](CBr).... |
5 | 2AMB | - | 17H | C21 H28 O2 | CC[C@@]1(C.... |
6 | 4OEA | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
7 | 3B67 | - | B67 | C17 H10 F8 N2 O5 | C[C@](COc1.... |
8 | 2PIU | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
9 | 2YLO | - | TES | C19 H28 O2 | C[C@]12CC[.... |
10 | 2PNU | - | ENM | C27 H36 F2 O3 | C[C@]12CCC.... |
11 | 4HLW | - | 17W | C15 H14 N2 O S | c1ccc(cc1).... |
12 | 2PIQ | - | RB1 | C16 H19 N5 O | CC(C)(C)n1.... |
13 | 2HVC | - | LGD | C14 H9 F9 N2 O | c1cc2c(cc1.... |
14 | 2OZ7 | - | CA4 | C24 H29 Cl O4 | CC(=O)[C@].... |
15 | 3B65 | - | 3B6 | C18 H14 I N3 O3 | C[C@](COc1.... |
16 | 5CJ6 | Ki = 2.03 nM | 51Y | C14 H17 Cl N2 O | Cc1c(ccc(c.... |
17 | 4QL8 | ic50 = 0.7 nM | JAD | C15 H16 Cl N3 O2 | Cc1c(ccc(c.... |
18 | 3B5R | - | B5R | C18 H13 Cl F4 N2 O3 | C[C@](COc1.... |
19 | 2AX8 | - | FHM | C17 H14 F4 N2 O5 | C[C@](COc1.... |
20 | 2QPY | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
21 | 1T7T | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
22 | 1Z95 | Ki = 76 nM | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
23 | 3RLJ | - | RLJ | C19 H14 F3 N3 O3 | C[C@](COc1.... |
24 | 2AX7 | - | FHM | C17 H14 F4 N2 O5 | C[C@](COc1.... |
25 | 3ZQT | - | TES | C19 H28 O2 | C[C@]12CC[.... |
26 | 1GS4 | - | ZK5 | C21 H29 F O5 | C[C@]12CCC.... |
27 | 2AM9 | - | TES | C19 H28 O2 | C[C@]12CC[.... |
28 | 3B66 | - | B66 | C18 H16 F3 N3 O5 | C[C@](COc1.... |
29 | 2PIT | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
30 | 3G0W | Ki = 0.3 nM | LGB | C15 H13 Cl F3 N3 O2 | Cc1c(ccc(c.... |
31 | 1I38 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
32 | 2PIP | - | ICO | C9 H7 N O2 | c1ccc2c(c1.... |
33 | 5VO4 | ic50 = 3.2 nM | 9FG | C12 H9 F N2 O | Cn1c(ccc1c.... |
34 | 1E3G | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
35 | 3RLL | - | RLL | C23 H16 F3 N3 O3 | C[C@](COc1.... |
36 | 2AXA | Ki = 6.1 nM | FHM | C17 H14 F4 N2 O5 | C[C@](COc1.... |
37 | 2IHQ | Ki = 3.2 nM | LG7 | C17 H13 N3 O3 | c1ccc2c(c1.... |
38 | 3B68 | - | B68 | C19 H18 F3 N3 O6 | CC(=O)Nc1c.... |
39 | 2PIV | - | T3 | C15 H12 I3 N O4 | c1cc(c(cc1.... |
40 | 2PIX | - | FLF | C14 H10 F3 N O2 | c1ccc(c(c1.... |
41 | 2PIR | - | NK | C7 H6 O2 | c1ccc(c(c1.... |
42 | 2YHD | Ki = 23 uM | AV6 | C17 H14 N2 O2 | c1cc2cccc3.... |
43 | 2AX6 | - | HFT | C11 H11 F3 N2 O4 | CC(C)(C(=O.... |
44 | 2PKL | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
45 | 2PIO | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
46 | 1XQ3 | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
47 | 5V8Q | ic50 = 3.6 nM | 97A | C14 H13 F3 N2 O2 | CC[C@H]1[C.... |
48 | 4OJB | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
49 | 2YLQ | - | TES | C19 H28 O2 | C[C@]12CC[.... |
50 | 1I37 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
51 | 2YLP | - | TES | C19 H28 O2 | C[C@]12CC[.... |
52 | 3VHU | ic50 = 49 nM | SNL | C24 H32 O4 S | CC(=O)S[C@.... |
53 | 2AA5 | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
54 | 3VHV | ic50 = 510 nM | LD1 | C18 H13 N5 O2 S | c1ccc(cc1).... |
55 | 1YA3 | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
56 | 2AAX | - | PDN | C21 H26 O5 | C[C@]12CC(.... |
57 | 2AA7 | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
58 | 4PF3 | ic50 = 51 nM | HFN | C21 H18 F3 N3 O3 | Cc1c(c(n(n.... |
59 | 2AB2 | - | SNL | C24 H32 O4 S | CC(=O)S[C@.... |
60 | 2AA2 | - | AS4 | C21 H28 O5 | C[C@]12CCC.... |
61 | 5HCV | Ki = 2 nM | 60R | C23 H16 F N O3 | c1ccc2c(c1.... |
62 | 2OAX | - | SNL | C24 H32 O4 S | CC(=O)S[C@.... |
63 | 1Y9R | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
64 | 2AA6 | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
65 | 1SQN | Kd = 0.4 nM | NDR | C20 H26 O2 | C[C@]12CC[.... |
66 | 3ZRB | - | OR8 | C17 H19 Cl N4 O3 S | Cc1c(c(on1.... |
67 | 4APU | - | OR8 | C17 H19 Cl N4 O3 S | Cc1c(c(on1.... |
68 | 3HQ5 | ic50 = 16 nM | GKK | C20 H19 Cl F3 N3 | C[N@]1CC[C.... |
69 | 1ZUC | ic50 = 1.7 nM | T98 | C16 H15 N3 O S | CC1(c2cc(c.... |
70 | 3ZR7 | - | OR8 | C17 H19 Cl N4 O3 S | Cc1c(c(on1.... |
71 | 1SR7 | Kd = 0.08 nM | MOF | C27 H30 Cl2 O6 | C[C@@H]1C[.... |
72 | 3D90 | - | NOG | C21 H28 O2 | CC[C@]12CC.... |
73 | 3ZRA | - | ORB | C18 H17 Cl F N3 O3 S | Cc1c(c(on1.... |
74 | 3G8O | ic50 = 125 nM | 30X | C15 H15 F6 N3 O | C[C@@H](C(.... |
75 | 3KBA | ic50 = 16 nM | WOW | C20 H22 Cl N3 O2 S | Cc1ccccc1C.... |
76 | 4A2J | - | AS0 | C28 H35 N O4 | C[C@]12C[C.... |
77 | 2W8Y | - | NDR | C20 H26 O2 | C[C@]12CC[.... |
78 | 1A28 | Ki = 5.1 nM | STR | C21 H30 O2 | CC(=O)[C@H.... |
79 | 1NHZ | - | 486 | C29 H35 N O2 | CC#C[C@@]1.... |
80 | 4LTW | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
81 | 2Q1H | - | AS4 | C21 H28 O5 | C[C@]12CCC.... |
82 | 2Q3Y | - | PRO ALA ILE LEU TYR ALA LEU LEU SER SER | n/a | n/a |
83 | 2Q1V | - | PDN | C21 H26 O5 | C[C@]12CC(.... |
84 | 6W9K | - | TUA | C21 H28 O5 | C[C@]12C[C.... |
85 | 5UC1 | - | 486 | C29 H35 N O2 | CC#C[C@@]1.... |
86 | 5L7H | Ki = 50 nM | 6QG | C21 H22 N2 O4 S | Cc1c-2c(on.... |
87 | 5L7E | Ki = 0.25 uM | 6Q0 | C18 H18 N2 O3 S | Cc1c(c(on1.... |
88 | 5L7G | Ki = 16 nM | 6QE | C22 H22 F2 N2 O4 S | Cc1c(c(on1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A2K | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ORC | 0.8701 |
This union binding pocket(no: 1) in the query (biounit: 1sr7.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1YYE | 196 | 38.2239 |
2 | 1YYE | 196 | 38.2239 |
3 | 1U3R | 338 | 41.0788 |
4 | 2QA8 | GEN | 43.0233 |
5 | 2QA8 | GEN | 43.0233 |
6 | 2QZO | KN1 | 43.0233 |
7 | 4TUZ | 36J | 43.5294 |
8 | 4TUZ | 36J | 43.5294 |
9 | 2BJ4 | OHT | 44.0476 |
10 | 2BJ4 | OHT | 44.0476 |
11 | 4TV1 | 36M | 44.2231 |
12 | 4TV1 | 36M | 44.2231 |
13 | 3UUD | EST | 44.2231 |
14 | 3UUD | EST | 44.2231 |
15 | 3UUD | EST | 44.2231 |
16 | 3UUD | EST | 44.2231 |
17 | 3UU7 | 2OH | 44.2231 |
18 | 3UU7 | 2OH | 44.2231 |
19 | 3UU7 | 2OH | 44.2231 |
20 | 3UU7 | 2OH | 44.2231 |
21 | 3UUA | 0CZ | 44.2231 |
22 | 3UUA | 0CZ | 44.2231 |
23 | 3UUA | 0CZ | 44.2231 |
24 | 3UUA | 0CZ | 44.2231 |
25 | 2POG | WST | 44.7581 |
This union binding pocket(no: 2) in the query (biounit: 1sr7.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5Z84 | CHD | 26.087 |
2 | 1YYE | 196 | 38.2239 |
3 | 2QA8 | GEN | 43.0233 |
4 | 2QA8 | GEN | 43.0233 |
5 | 4TUZ | 36J | 43.5294 |
6 | 4TUZ | 36J | 43.5294 |
7 | 2BJ4 | OHT | 44.0476 |
8 | 2BJ4 | OHT | 44.0476 |
9 | 4TV1 | 36M | 44.2231 |
10 | 4TV1 | 36M | 44.2231 |
11 | 3UUD | EST | 44.2231 |
12 | 3UUD | EST | 44.2231 |
13 | 3UUA | 0CZ | 44.2231 |
14 | 3UUA | 0CZ | 44.2231 |
15 | 3UUD | EST | 44.2231 |
16 | 3UUD | EST | 44.2231 |
17 | 3UU7 | 2OH | 44.2231 |
18 | 3UU7 | 2OH | 44.2231 |
19 | 3UUA | 0CZ | 44.2231 |
20 | 3UUA | 0CZ | 44.2231 |
21 | 3UU7 | 2OH | 44.2231 |
22 | 3UU7 | 2OH | 44.2231 |
23 | 2POG | WST | 44.7581 |