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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 1 families. | |||||
1 | 4PG1 | - | Y39 | C13 H24 O2 | CCCCCCCCC[.... |
2 | 4PGK | - | Y69 | C17 H34 O4 | CCOCCOCCOC.... |
3 | 4PGI | - | Y69 | C17 H34 O4 | CCOCCOCCOC.... |
4 | 4TW3 | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
5 | 4PG0 | - | Y39 | C13 H24 O2 | CCCCCCCCC[.... |
6 | 4KVS | - | 6NA | C6 H12 O2 | CCCCCC(=O).... |
7 | 4KVQ | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
8 | 4KVR | - | 6NA | C6 H12 O2 | CCCCCC(=O).... |
9 | 4QUW | - | PL3 | C16 H34 O | CCCCCCCCCC.... |
10 | 4RC5 | - | PL3 | C16 H34 O | CCCCCCCCCC.... |
11 | 4RC8 | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
12 | 5K52 | - | OCD | C18 H36 O | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4PG1 | - | Y39 | C13 H24 O2 | CCCCCCCCC[.... |
2 | 4PGK | - | Y69 | C17 H34 O4 | CCOCCOCCOC.... |
3 | 4PGI | - | Y69 | C17 H34 O4 | CCOCCOCCOC.... |
4 | 4TW3 | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
5 | 4PG0 | - | Y39 | C13 H24 O2 | CCCCCCCCC[.... |
6 | 4KVS | - | 6NA | C6 H12 O2 | CCCCCC(=O).... |
7 | 4KVQ | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
8 | 4KVR | - | 6NA | C6 H12 O2 | CCCCCC(=O).... |
9 | 5K53 | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
10 | 4RC7 | - | PL3 | C16 H34 O | CCCCCCCCCC.... |
11 | 4QUW | - | PL3 | C16 H34 O | CCCCCCCCCC.... |
12 | 4RC5 | - | PL3 | C16 H34 O | CCCCCCCCCC.... |
13 | 4RC8 | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
14 | 5K52 | - | OCD | C18 H36 O | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DE1 | 1 | 1 |
2 | O8N | 1 | 1 |
3 | OC9 | 1 | 1 |
4 | 1DO | 1 | 1 |
5 | PL3 | 1 | 1 |
6 | F09 | 1 | 1 |
7 | HE4 | 0.944444 | 1 |
8 | HE2 | 0.789474 | 0.952381 |
9 | PE9 | 0.631579 | 0.904762 |
10 | ODI | 0.611111 | 0.666667 |
11 | HEZ | 0.555556 | 0.666667 |
12 | 1BO | 0.526316 | 0.761905 |
13 | B8M | 0.5 | 0.913043 |
14 | 9JE | 0.473684 | 0.625 |
15 | BOM | 0.441176 | 0.826087 |
16 | BDD | 0.44 | 0.666667 |
17 | JAO | 0.419355 | 0.863636 |
18 | EW8 | 0.413793 | 0.75 |
19 | DAO | 0.413793 | 0.75 |
20 | KNA | 0.413793 | 0.75 |
21 | MYR | 0.413793 | 0.75 |
22 | DCR | 0.413793 | 0.75 |
23 | 12H | 0.413793 | 0.615385 |
24 | F23 | 0.413793 | 0.75 |
25 | TDA | 0.413793 | 0.75 |
26 | X90 | 0.413793 | 0.75 |
27 | STE | 0.413793 | 0.75 |
28 | DKA | 0.413793 | 0.75 |
29 | F15 | 0.413793 | 0.75 |
30 | 11A | 0.413793 | 0.75 |
31 | PLM | 0.413793 | 0.75 |
32 | C10 | 0.4 | 0.714286 |
33 | CE9 | 0.4 | 0.714286 |
34 | N8E | 0.4 | 0.714286 |
35 | BHL BHL | 0.4 | 0.666667 |
36 | CE1 | 0.4 | 0.714286 |
37 | BHL | 0.4 | 0.666667 |
38 | C8E | 0.4 | 0.714286 |
39 | 1EX | 0.4 | 0.782609 |
40 | 32M | 0.4 | 0.714286 |
This union binding pocket(no: 1) in the query (biounit: 4rc8.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |