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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 14 families. | |||||
1 | 6QTJ | ic50 = 1.8 nM | JHK | C21 H19 N5 O | CN(C)C(=O).... |
2 | 5CEI | ic50 = 5.3 nM | 50R | C15 H11 I N2 O2 S | CNC(=O)c1c.... |
3 | 4CRL | Kd = 195 pM | C1I | C30 H36 N2 O3 | C[C@]12CC=.... |
4 | 5XS2 | - | 8D6 | C10 H8 Cl N3 O | c1cnccc1c2.... |
5 | 5HVY | ic50 = 17.4 nM | 66X | C22 H28 F3 N7 O2 | CNc1nccc(n.... |
6 | 5HBE | ic50 = 2.3 nM | 5Y6 | C20 H21 Cl N4 O4 S | CN1c2ccc(c.... |
7 | 5HBH | ic50 = 49.2 nM | 5Y7 | C24 H31 Cl N4 O3 S | CN1c2ccc(c.... |
8 | 5FGK | ic50 = 1.7 nM | 5XG | C20 H21 Cl N6 O | c1cc2c(cc1.... |
9 | 5ICP | - | 69Z | C16 H15 Cl N4 O S | Cc1ncc2n1n.... |
10 | 5IDN | - | 6A7 | C18 H17 Cl N4 O | Cc1c2cc(cn.... |
11 | 5XQX | - | 8CC | C11 H11 N3 O | CNC(=O)c1c.... |
12 | 3RGF | ic50 = 0.13 uM | BAX | C21 H16 Cl F3 N4 O3 | CNC(=O)c1c.... |
13 | 6R3S | ic50 = 910 nM | JRE | C16 H17 Cl N4 O2 | C[C@@H](c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 6QTJ | ic50 = 1.8 nM | JHK | C21 H19 N5 O | CN(C)C(=O).... |
2 | 5CEI | ic50 = 5.3 nM | 50R | C15 H11 I N2 O2 S | CNC(=O)c1c.... |
3 | 4CRL | Kd = 195 pM | C1I | C30 H36 N2 O3 | C[C@]12CC=.... |
4 | 5XS2 | - | 8D6 | C10 H8 Cl N3 O | c1cnccc1c2.... |
5 | 5HVY | ic50 = 17.4 nM | 66X | C22 H28 F3 N7 O2 | CNc1nccc(n.... |
6 | 5HBE | ic50 = 2.3 nM | 5Y6 | C20 H21 Cl N4 O4 S | CN1c2ccc(c.... |
7 | 5HBH | ic50 = 49.2 nM | 5Y7 | C24 H31 Cl N4 O3 S | CN1c2ccc(c.... |
8 | 5FGK | ic50 = 1.7 nM | 5XG | C20 H21 Cl N6 O | c1cc2c(cc1.... |
9 | 5ICP | - | 69Z | C16 H15 Cl N4 O S | Cc1ncc2n1n.... |
10 | 5IDN | - | 6A7 | C18 H17 Cl N4 O | Cc1c2cc(cn.... |
11 | 5XQX | - | 8CC | C11 H11 N3 O | CNC(=O)c1c.... |
12 | 3RGF | ic50 = 0.13 uM | BAX | C21 H16 Cl F3 N4 O3 | CNC(=O)c1c.... |
13 | 6R3S | ic50 = 910 nM | JRE | C16 H17 Cl N4 O2 | C[C@@H](c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | C1I | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4crl.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3M2W | L8I | 14.7157 |
2 | 6JKM | ADP | 16.2562 |
3 | 3SRV | S19 | 17.3285 |
4 | 3SRV | S19 | 17.3285 |
5 | 6VRF | ADP | 21.4286 |
6 | 5WNL | STU | 24.1379 |
7 | 5WNL | STU | 24.1379 |
8 | 4UAL | 3FV | 24.1379 |
9 | 6QF4 | ADP | 26.6055 |
10 | 6P5S | 3NG | 28.8177 |
11 | 1U5R | ATP | 30.7471 |
12 | 1U5R | ATP | 30.7471 |
13 | 1U5R | ATP | 30.7471 |
14 | 6F3G | CJN | 31.1864 |
15 | 2V7O | DRN | 34.8214 |
16 | 5UPK | ANP | 34.9711 |
17 | 2VN9 | GVD | 37.8738 |
18 | 2VN9 | GVD | 37.8738 |
19 | 4NM5 | ADP | 38.1773 |
20 | 5Y86 | HRM | 39.9015 |
21 | 6FYV | 3NG | 40.3561 |
22 | 2B9F | ADP | 43.6261 |
23 | 4H3P | ANP | 44.1989 |