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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 2 families. | |||||
1 | 5TKU | Ki = 0.16 nM | 7DK | C28 H28 Cl N9 O4 | COC(=O)Nc1.... |
2 | 4NA8 | Ki = 1.5 nM | 1T6 | C31 H28 N4 O3 | [H]/N=C(/c.... |
3 | 5WB6 | Ki = 0.02 nM | 9ZM | C31 H26 Cl F N10 O4 | COC(=O)Nc1.... |
4 | 5Q0H | Ki = 12 nM | 9F1 | C27 H26 Cl F2 N5 O4 | Cc1cc(c(c(.... |
5 | 5TKT | Ki = 3.2 nM | 7DS | C28 H26 Cl N9 O4 | COC(=O)Nc1.... |
6 | 4CRG | - | J4X | C22 H18 N6 O | [H]/N=C(c1.... |
7 | 5EXL | Ki = 3.7 nM | 5SS | C28 H31 N5 O2 | c1ccc(cc1).... |
8 | 6TS5 | ic50 = 0.003 uM | NW2 | C27 H29 N O5 | CC(C)c1cc(.... |
9 | 6VLU | Ki = 149.1 nM | R2Y | C27 H37 F2 N5 O2 | CC(C)C[C@H.... |
10 | 5E2O | Ki = 2 nM | 5JM | C26 H21 Cl N6 O4 | c1ccc(cc1).... |
11 | 4CRB | Ki = 0.027 uM | 7P0 | C28 H24 Cl N7 O4 | c1ccc(cc1).... |
12 | 6TS6 | ic50 = 0.004 uM | NW5 | C27 H26 N2 O4 | CC(C)(C#N).... |
13 | 5TKS | Ki = 68 nM | 7DL | C29 H30 Cl2 N8 O3 | COC(=O)Nc1.... |
14 | 5QTY | Ki = 2.5 nM | QLJ | C32 H33 Cl N8 O5 | CCOC(=O)[C.... |
15 | 5Q0E | Ki = 0.69 nM | 9FD | C29 H30 Cl N9 O4 | C[C@H]1CCC.... |
16 | 4CRE | - | MVN | C10 H8 Cl N O | CC1=CC(=O).... |
17 | 4CRA | Ki = 0.06 uM | XJ8 | C29 H25 N5 O4 | c1ccc(cc1).... |
18 | 1ZHR | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
19 | 5E2P | Ki = 1.6 nM | 7P0 | C28 H24 Cl N7 O4 | c1ccc(cc1).... |
20 | 3BG8 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
21 | 4X6P | Ki = 5 nM | 3YU | C28 H23 Cl N10 O | c1ccc(cc1).... |
22 | 5Q0D | Ki = 1 nM | 9EY | C27 H26 Cl N9 O4 | COC(=O)Nc1.... |
23 | 4X6O | Ki = 1.9 nM | 3Y4 | C29 H26 Cl2 N8 O3 | COC(=O)Nc1.... |
24 | 5EXN | Ki = 23 nM | 5SU | C31 H26 Cl N7 O3 | COC(=O)Nc1.... |
25 | 4CR9 | Ki = 80 uM | OTW | C10 H11 N3 | Cc1cc(nc2c.... |
26 | 6TS4 | ic50 = 2.8 uM | J7B | C22 H20 N2 O3 | c1ccc(c(c1.... |
27 | 6USY | Ki = 0.0004 uM | QGS | C28 H28 N2 O4 | CC(C)c1cc(.... |
28 | 4CRC | Ki = 0.0019 uM | OTM | C26 H21 Cl N10 O2 | c1ccc(cc1).... |
29 | 5QCL | Ki = 11 nM | BUY | C27 H21 Cl N6 O4 | c1ccc2c(c1.... |
30 | 1ZHM | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
31 | 5EXM | Ki = 6.3 nM | 5ST | C29 H34 N4 O3 | COC(=O)Nc1.... |
32 | 4TY7 | Ki = 0.3 nM | 39F | C26 H30 Cl N7 O | c1ccc(cc1).... |
33 | 5QTT | Ki = 3.4 nM | QEY | C30 H29 Cl F N7 O4 | C[C@@H]1CC.... |
34 | 6W50 | Ki = 0.3 nM | SWP | C31 H29 Cl F2 N4 O4 | C[C@@H]1CC.... |
35 | 5QQP | Ki = 5.3 nM | NR7 | C29 H30 Cl N5 O4 | COC(=O)Nc1.... |
36 | 6C0S | Ki = 89 nM | EEJ | C31 H31 Cl2 N9 O4 | CC(=O)N1CC.... |
37 | 4CRF | Ki = 0.0005 uM | R9B | C29 H23 Cl N4 O5 | c1ccc(cc1).... |
38 | 5QCN | Ki = 6 nM | BVM | C36 H34 Cl N7 O7 | CCOC(=O)[C.... |
39 | 6VLV | Ki = 5.33 nM | R3A | C19 H25 Cl N6 O4 S | [H]/N=C(/N.... |
40 | 5QTV | Ki = 1.1 nM | QLS | C28 H27 Cl F3 N9 O3 | COC(=O)Nc1.... |
41 | 4X6M | Ki = 5.8 nM | 3Y3 | C27 H26 Cl2 N8 O | c1ccc(cc1).... |
42 | 5QTW | Ki = 0.46 nM | QLM | C29 H30 Cl N9 O5 | COC(=O)[C@.... |
43 | 4CR5 | Ki = 70 uM | 0TU | C9 H6 Cl N O | c1cc2c(cc1.... |
44 | 4CRD | Ki = 0.08 uM | OTJ | C22 H22 Cl2 N8 O3 | COC(=O)Nc1.... |
45 | 5QCM | Ki = 110 nM | BVJ | C28 H23 Cl F N7 O4 | COC(=O)Nc1.... |
46 | 2ANW | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
47 | 2ANY | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
48 | 5TJX | - | GBT | C29 H33 N7 O3 | Cc1c2c(cc(.... |
49 | 6O1S | - | 7SD | C23 H25 N7 O | Cc1cc(nc(c.... |
50 | 6T7P | Ki = 0.97 uM | MU8 | C26 H24 Cl N3 O3 | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 5TKU | Ki = 0.16 nM | 7DK | C28 H28 Cl N9 O4 | COC(=O)Nc1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 3Y4 | 0.8710 |
This union binding pocket(no: 1) in the query (biounit: 5wb6.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1NFU | RRP | 49.5902 |