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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 197 families. | |||||
1 | 3G4W | - | 8CL | C6 H5 Cl | c1ccc(cc1).... |
2 | 3G4V | - | 7CL | C5 H11 Cl | CCCCCCl |
3 | 3G4U | - | 0CL | C3 H6 Cl2 | C(CCl)CCl |
4 | 3G52 | - | CEE | C8 H9 Cl | c1ccc(cc1).... |
5 | 3G4Y | - | 9CL | C7 H7 Cl | c1ccc(cc1).... |
6 | 3G4Q | - | MCH | C H Cl3 | C(Cl)(Cl)C.... |
7 | 3G53 | - | LT1 | C9 H11 Cl | c1ccc(cc1).... |
8 | 3G4R | - | DCE | C2 H4 Cl2 | C(CCl)Cl |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 165 families. | |||||
1 | 3G4W | - | 8CL | C6 H5 Cl | c1ccc(cc1).... |
2 | 3G4V | - | 7CL | C5 H11 Cl | CCCCCCl |
3 | 3G4U | - | 0CL | C3 H6 Cl2 | C(CCl)CCl |
4 | 3G52 | - | CEE | C8 H9 Cl | c1ccc(cc1).... |
5 | 3G4Y | - | 9CL | C7 H7 Cl | c1ccc(cc1).... |
6 | 3G4Q | - | MCH | C H Cl3 | C(Cl)(Cl)C.... |
7 | 3G53 | - | LT1 | C9 H11 Cl | c1ccc(cc1).... |
8 | 3G4R | - | DCE | C2 H4 Cl2 | C(CCl)Cl |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MCH | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AF3 | 1.0000 |
2 | VN4 | 1.0000 |
3 | KCS | 1.0000 |
4 | BEF | 1.0000 |
5 | 2PO | 0.9742 |
6 | 78T | 0.9725 |
7 | SEY | 0.9638 |
8 | IPA | 0.9612 |
9 | ACM | 0.9484 |
10 | ACT | 0.9406 |
11 | CP2 | 0.9395 |
12 | BRP | 0.9376 |
13 | 61G | 0.9345 |
14 | TSZ | 0.9251 |
15 | 2A3 | 0.9247 |
16 | J3K | 0.9245 |
17 | WO6 | 0.9233 |
18 | CB0 | 0.9158 |
19 | F3V | 0.9157 |
20 | ATO | 0.9146 |
21 | F50 | 0.9141 |
22 | HVB | 0.9137 |
23 | TCV | 0.9128 |
24 | ALA | 0.9120 |
25 | 1BP | 0.9088 |
26 | 2A1 | 0.9086 |
27 | FAH | 0.9069 |
28 | PPI | 0.9060 |
29 | 9XN | 0.9060 |
30 | 73M | 0.9058 |
31 | GLV | 0.9049 |
32 | GOA | 0.9045 |
33 | 2PA | 0.9041 |
34 | ART | 0.9018 |
35 | MSM | 0.9005 |
36 | NIE | 0.8992 |
37 | BRJ | 0.8982 |
38 | PEJ | 0.8981 |
39 | GLY | 0.8975 |
40 | AGU | 0.8967 |
41 | HAE | 0.8965 |
42 | AKR | 0.8956 |
43 | MGX | 0.8952 |
44 | GB | 0.8949 |
45 | 03S | 0.8947 |
46 | R3W | 0.8938 |
47 | DTZ | 0.8928 |
48 | OSM | 0.8917 |
49 | ABA | 0.8902 |
50 | NHY | 0.8893 |
51 | FUS | 0.8887 |
52 | 2HP | 0.8884 |
53 | GXV | 0.8866 |
54 | CPT | 0.8837 |
55 | FPO | 0.8802 |
56 | TBU | 0.8797 |
57 | ALF | 0.8784 |
58 | 3GR | 0.8779 |
59 | BF4 | 0.8609 |
60 | CYS | 0.8561 |
This union binding pocket(no: 1) in the query (biounit: 3g4q.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3g4q.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3g4q.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |