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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 35 families. | |||||
1 | 2A3I | - | C0R | C21 H30 O4 | C[C@]12CCC.... |
2 | 3BQD | - | DAY | C30 H36 N2 O4 | C[C@@H]1C[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 5JJM | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
2 | 1T7M | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
3 | 1T65 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
4 | 1T5Z | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
5 | 2Q7K | - | TES | C19 H28 O2 | C[C@]12CC[.... |
6 | 4OKT | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
7 | 3V4A | - | PK1 | C17 H14 Cl2 N2 O2 S | C[C@]1(C(=.... |
8 | 1T7F | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
9 | 1T74 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
10 | 3V49 | ic50 = 9.6 nM | PK0 | C19 H14 F3 N3 O3 | C[C@]1(C(=.... |
11 | 4OH5 | - | HFT | C11 H11 F3 N2 O4 | CC(C)(C(=O.... |
12 | 4OKW | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
13 | 2Q7L | - | TES | C19 H28 O2 | C[C@]12CC[.... |
14 | 4OK1 | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
15 | 4OEZ | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
16 | 3L3X | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
17 | 1T73 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
18 | 2Q7I | - | TES | C19 H28 O2 | C[C@]12CC[.... |
19 | 4OEY | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
20 | 1T7R | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
21 | 2Q7J | - | TES | C19 H28 O2 | C[C@]12CC[.... |
22 | 2AO6 | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
23 | 4OFR | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
24 | 3L3Z | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
25 | 4OFU | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
26 | 1T63 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
27 | 1XOW | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
28 | 1T76 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
29 | 4OKX | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
30 | 4OHA | - | HFT | C11 H11 F3 N2 O4 | CC(C)(C(=O.... |
31 | 1T79 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
32 | 4E2J | - | MOF | C27 H30 Cl2 O6 | C[C@@H]1C[.... |
33 | 4P6W | Ki = 0.7 nM | MOF | C27 H30 Cl2 O6 | C[C@@H]1C[.... |
34 | 5UFS | Ki = 3.2 nM | 1TA | C24 H31 F O6 | C[C@]12C[C.... |
35 | 6W9M | - | TUV | C22 H28 O4 | C[C@@H]1C[.... |
36 | 4UDB | Ki = 0.18 nM | CV7 | C28 H38 O6 | C[C@]12C[C.... |
37 | 4UDA | Ki = 6.3 nM | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
38 | 5MWY | Ki = 100 nM | YNU | C24 H30 O6 | C[C@]12CCC.... |
39 | 5MWP | Ki = 31.6 nM | ECV | C20 H18 F N3 O5 | CNC(=O)C[C.... |
40 | 6GG8 | Ki = 0.79 nM | EY8 | C18 H16 F N3 O6 S | c1cc2c(cc1.... |
41 | 6GGG | Ki = 0.63 nM | EYN | C24 H26 F N3 O5 | CC(C)Cc1cc.... |
42 | 6GEV | Ki = 1.9 nM | EWN | C21 H21 F N2 O4 | CC(C)C[C@H.... |
43 | 1M2Z | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
44 | 3K22 | - | JZS | C22 H21 F6 N5 O3 | Cc1cc(c2cn.... |
45 | 3MNO | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
46 | 3E7C | - | 866 | C23 H21 Cl2 F4 N5 O3 | CCN(C[C@@].... |
47 | 4P6X | Ki = 91 nM | HCY | C21 H30 O5 | C[C@]12CCC.... |
48 | 3MNP | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
49 | 3MNE | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
50 | 2A3I | - | C0R | C21 H30 O4 | C[C@]12CCC.... |
51 | 4UDC | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
52 | 5NFT | - | 8W8 | C25 H21 F4 N3 O3 | C[C@@H]([C.... |
53 | 5G5W | ic50 = 0.0027 uM | R8C | C24 H19 F4 N3 O2 | C[C@@H]([C.... |
54 | 4CSJ | ic50 = 4.9 nM | NN7 | C25 H27 F N4 O2 S | Cc1cc(c(c(.... |
55 | 6EL7 | - | B9T | C20 H19 Br F2 N4 O2 | C[C@@H]([C.... |
56 | 5NFP | - | 8W5 | C25 H34 O6 | CCC[C@@H]1.... |
57 | 4UDD | - | CV7 | C28 H38 O6 | C[C@]12C[C.... |
58 | 6EL9 | ic50 = 3.8 nM | B9W | C27 H28 F2 N4 O3 | CC(C)[C@@H.... |
59 | 6EL6 | ic50 = 6.3 nM | B9Q | C26 H25 F N4 O3 | C[C@@H]([C.... |
60 | 5G3J | ic50 = 63 nM | E7T | C22 H19 F5 N2 O3 | CC[C@@H]1C.... |
61 | 6NWL | Ki = 43 nM | HCY | C21 H30 O5 | C[C@]12CCC.... |
62 | 6W9L | - | TUS | C23 H29 N O5 | CC1=N[C@@].... |
63 | 6NWK | Ki = 20 nM | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
64 | 3GN8 | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
65 | 2OVH | ic50 = 1 nM | AS0 | C28 H35 N O4 | C[C@]12C[C.... |
66 | 4OAR | ic50 = 0.038 nM | 2S0 | C30 H37 N O4 | CC(=O)[C@].... |
67 | 4LSJ | Ki = 0.268 nM | LSJ | C25 H25 N O4 S | CC/C(=C/1c.... |
68 | 3BQD | - | DAY | C30 H36 N2 O4 | C[C@@H]1C[.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TUA | 0.9684 |
2 | PDN | 0.9657 |
3 | PLO | 0.9632 |
4 | ZK5 | 0.9619 |
5 | DEX | 0.9561 |
6 | 3G6 | 0.9439 |
7 | TUV | 0.9338 |
8 | CI2 | 0.9316 |
9 | FIT | 0.9137 |
10 | TES | 0.9122 |
11 | DHT | 0.9102 |
12 | ASD | 0.9091 |
13 | 1N7 | 0.9072 |
14 | 30Q | 0.9028 |
15 | ANB | 0.9009 |
16 | AOM | 0.8988 |
17 | AND | 0.8988 |
18 | ANO | 0.8970 |
19 | 5SD | 0.8947 |
20 | AOX | 0.8917 |
21 | AOI | 0.8899 |
22 | BDT | 0.8823 |
23 | TUS | 0.8816 |
24 | FFA | 0.8764 |
25 | R18 | 0.8757 |
26 | 3T5 | 0.8756 |
27 | ESR | 0.8644 |
28 | DTC | 0.8619 |
29 | SAU | 0.8606 |
30 | TH2 | 0.8591 |
31 | AON | 0.8551 |
32 | NQ8 | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 2a3i.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4MGD | 27N | 32.4111 |
2 | 5DXE | EST | 32.4111 |
3 | 5DXE | EST | 32.4111 |
4 | 5DXG | EST | 32.4111 |
5 | 5DXG | EST | 32.4111 |
6 | 4MGD | 27N | 32.4111 |
7 | 4MG7 | 27H | 32.4111 |
8 | 4MG7 | 27H | 32.4111 |
9 | 4MGB | XDH | 32.4111 |
10 | 2BJ4 | OHT | 32.5397 |
11 | 2BJ4 | OHT | 32.5397 |
12 | 5AAV | GW5 | 32.5397 |
13 | 2POG | WST | 33.0645 |
14 | 2POG | WST | 33.0645 |
15 | 4J24 | EST | 34.1667 |
16 | 4J24 | EST | 34.1667 |
17 | 3OLL | EST | 34.1667 |
18 | 2YJD | YJD | 34.1667 |
19 | 2YJD | YJD | 34.1667 |
20 | 6K3N | CW6 | 34.3612 |