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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 31 families. | |||||
1 | 6EQS | - | BV8 | C47 H63 N11 O19 P2 S | CC(C)NC(=O.... |
2 | 2NYR | - | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
3 | 6LJN | - | HIS PHE SER LYS SIN MCM | n/a | n/a |
4 | 6LJK | - | BE2 SER ALA ILE LYS SER NIY GLY SET GUA | n/a | n/a |
5 | 6LJM | - | SER LEU GLY LYS SIN MCM | n/a | n/a |
6 | 4G1C | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
7 | 6FLG | Ki = 30.1 nM | GZB VAL LEU DQK GLU TYR GLY VAL | n/a | n/a |
8 | 6ENX | - | BJW | C48 H64 N10 O19 P2 S | CC(C)NC(=O.... |
9 | 6EO0 | - | BVT | C47 H63 N11 O19 P2 S | CC(C)NC(=O.... |
10 | 4UTV | Kd = 8.2 uM | BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 4BUZ | - | OAD | C17 H25 N5 O15 P2 | CC(=O)O[C@.... |
2 | 3D4B | - | THR SER ARG HIS LYS ALY LEU MET ALA | n/a | n/a |
3 | 3D81 | - | SER ARG HIS LYS FZN LEU MET PHE | n/a | n/a |
4 | 1S5P | Kd = 0.44 uM | LYS GLY GLY ALA ALY ARG HIS ARG | n/a | n/a |
5 | 1M2K | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
6 | 1M2J | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
7 | 1M2G | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
8 | 1ICI | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
9 | 1M2H | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
10 | 6EQS | - | BV8 | C47 H63 N11 O19 P2 S | CC(C)NC(=O.... |
11 | 2NYR | - | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
12 | 6LJN | - | HIS PHE SER LYS SIN MCM | n/a | n/a |
13 | 6LJK | - | BE2 SER ALA ILE LYS SER NIY GLY SET GUA | n/a | n/a |
14 | 6LJM | - | SER LEU GLY LYS SIN MCM | n/a | n/a |
15 | 4G1C | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
16 | 6FLG | Ki = 30.1 nM | GZB VAL LEU DQK GLU TYR GLY VAL | n/a | n/a |
17 | 6ENX | - | BJW | C48 H64 N10 O19 P2 S | CC(C)NC(=O.... |
18 | 6EO0 | - | BVT | C47 H63 N11 O19 P2 S | CC(C)NC(=O.... |
19 | 4UTV | Kd = 8.2 uM | BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL | n/a | n/a |
20 | 1S7G | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
21 | 1YC2 | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GZB VAL LEU DQK GLU TYR GLY VAL | 1 | 1 |
2 | THR GLU ASN LEU TYR PHE GLN SER GLY THR | 0.430233 | 0.790323 |
3 | LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE | 0.422222 | 0.793651 |
4 | SER SER LEU GLU ASN PHE ARG ALA TYR VAL | 0.420765 | 0.705882 |
5 | LEU TYR LEU VAL CYS GLY GLU ARG VAL | 0.420455 | 0.761905 |
6 | GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA | 0.412121 | 0.810345 |
7 | LEU TYR LEU VAL CYS GLY GLU ARG GLY | 0.409091 | 0.761905 |
8 | GLY ALA GLU THR PHE TYR VAL ASP GLY ALA | 0.405882 | 0.770492 |
9 | LEU LEU TYR GLY PHE VAL ASN TYR ILE | 0.405882 | 0.783333 |
10 | ASP PHE GLU LYS GLU GLY TYR SER LEU | 0.403409 | 0.806452 |
11 | LEU GLU LYS ALA ARG GLY SER THR TYR | 0.402174 | 0.705882 |
No: | Ligand | Similarity coefficient |
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