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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- 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 | 4B71 | - | DJL | C15 H16 Cl F N O | CC[C@H](c1.... |
2 | 3O8D | - | ADP BEF | n/a | n/a |
3 | 4B6E | - | 10L | C7 H7 N3 | c1cc2cn[nH.... |
4 | 4B73 | Kd = 0.062 uM | 4VA | C19 H23 Cl F N2 O2 | CC[C@H](c1.... |
5 | 4B74 | Kd = 0.022 uM | 1LH | C21 H29 Cl F N3 O2 | CC[C@H](c1.... |
6 | 4B76 | Kd = 29 uM | PW1 | C13 H12 F2 N O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 5E4F | - | ALF ADP | n/a | n/a |
2 | 4B71 | - | DJL | C15 H16 Cl F N O | CC[C@H](c1.... |
3 | 3O8D | - | ADP BEF | n/a | n/a |
4 | 4B6E | - | 10L | C7 H7 N3 | c1cc2cn[nH.... |
5 | 4B73 | Kd = 0.062 uM | 4VA | C19 H23 Cl F N2 O2 | CC[C@H](c1.... |
6 | 4B74 | Kd = 0.022 uM | 1LH | C21 H29 Cl F N3 O2 | CC[C@H](c1.... |
7 | 4B76 | Kd = 29 uM | PW1 | C13 H12 F2 N O | c1ccc(cc1).... |
8 | 4OK5 | ic50 = 31 uM | 2T2 | C19 H15 N O2 | C#Cc1cccc(.... |
9 | 4OK3 | ic50 = 71 uM | 2SY | C17 H14 Cl N O2 | c1ccc2c(c1.... |
10 | 4OK6 | ic50 = 14 uM | 2T7 | C18 H16 N2 O5 | COc1ccc(cc.... |
11 | 4OJQ | ic50 = 500 uM | 2SX | C10 H8 Br N O2 | c1cc2c(cc1.... |
12 | 4OKS | Kd = 33 uM | 2T9 | C24 H22 N4 O5 | COc1ccc(cc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PW1 | 0.9466 |
2 | NWL | 0.9296 |
3 | 9F5 | 0.9124 |
4 | 3AK | 0.9065 |
5 | W1G | 0.9061 |
6 | PV4 | 0.9058 |
7 | DYZ | 0.9043 |
8 | E9P | 0.8938 |
9 | 7Z9 | 0.8921 |
10 | C0Y | 0.8915 |
11 | 9X3 | 0.8894 |
12 | 4WF | 0.8894 |
13 | N1Y | 0.8878 |
14 | AVA | 0.8854 |
15 | Q4G | 0.8833 |
16 | 531 | 0.8833 |
17 | EGB | 0.8829 |
18 | FNA | 0.8817 |
19 | AX8 | 0.8810 |
20 | JSX | 0.8801 |
21 | VGG | 0.8799 |
22 | EXG | 0.8795 |
23 | CMU | 0.8794 |
24 | JA3 | 0.8791 |
25 | VJJ | 0.8790 |
26 | MJ5 | 0.8790 |
27 | 69K | 0.8779 |
28 | RK4 | 0.8777 |
29 | 2N0 | 0.8769 |
30 | S1D | 0.8769 |
31 | CH8 | 0.8767 |
32 | FOY | 0.8756 |
33 | 536 | 0.8753 |
34 | ACE PHE | 0.8741 |
35 | GLY PHE | 0.8740 |
36 | FPL | 0.8724 |
37 | 3B4 | 0.8702 |
38 | S0I | 0.8700 |
39 | FUZ | 0.8699 |
40 | NWD | 0.8693 |
41 | H35 | 0.8688 |
42 | VBC | 0.8684 |
43 | IWH | 0.8681 |
44 | GC2 | 0.8680 |
45 | 5OU | 0.8670 |
46 | 020 | 0.8615 |
47 | 96Z | 0.8610 |
48 | 12R | 0.8605 |
49 | 43F | 0.8596 |
50 | A4V | 0.8589 |
51 | NIQ | 0.8582 |
52 | XEV | 0.8573 |
53 | QKU | 0.8570 |
54 | TI7 | 0.8554 |
55 | 8RK | 0.8546 |
56 | CU8 | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 4b74.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4b74.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |