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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 20 families. | |||||
1 | 4MJR | Ki = 283 uM | 0LA | C15 H12 Cl N O2 | C[C@@H](c1.... |
2 | 4N94 | - | 2HO | C7 H5 F2 N O | c1cc(c(cc1.... |
3 | 4N98 | Ki = 280 uM | 4FC | C13 H9 F O2 | c1cc(ccc1c.... |
4 | 4N95 | - | 2HQ | C8 H4 Cl N O2 | c1cc2c(cc1.... |
5 | 4MJQ | Ki = 193 uM | 27R | C15 H12 Br N O3 | c1cc(c(c(c.... |
6 | 3D1E | - | THR LEU MET THR GLY GLN LEU GLY LEU PHE | n/a | n/a |
7 | 6FVM | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
8 | 3D1G | Ki ~ 10 uM | 322 | C14 H13 Br2 N O5 S2 | CCOc1cc(c(.... |
9 | 4K3O | Kd = 36.7 uM | ACE GLN ALA ASP LEU PHE | n/a | n/a |
10 | 4K3L | ic50 = 1.1 mM | ACE LEU PHE | n/a | n/a |
11 | 4N9A | Ki = 64 uM | 2J2 | C13 H12 Cl N O2 | c1cc2c(cc1.... |
12 | 4K3K | ic50 = 4.44 mM | SFK | C15 H21 N O3 | CC(C)CCC(=.... |
13 | 3D1F | - | SER GLU GLN VAL GLU LEU GLU PHE ASP 323 | n/a | n/a |
14 | 4K3M | Kd = 281.2 uM | ALA LEU ASP LEU PHE | n/a | n/a |
15 | 4K3R | Kd = 259.1 uM | ACE GLN LEU ASP LEU ALA | n/a | n/a |
16 | 4K3Q | Kd = 115.1 uM | ACE GLN LEU ASP ALA PHE | n/a | n/a |
17 | 4K3P | Kd = 1.6 uM | ACE GLN LEU ALA LEU PHE | n/a | n/a |
18 | 4N99 | Ki = 216 uM | 2J1 | C13 H12 Cl N O2 | c1c2c(cc(c.... |
19 | 4MJP | Ki = 131 uM | 27O | C19 H22 O2 | C[C@H](c1c.... |
20 | 6FVL | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
21 | 4N96 | - | 6NI | C7 H5 N3 O2 | c1cc2cn[nH.... |
22 | 4N97 | - | 2HU | C8 H6 N2 O2 | c1cc2c(cc[.... |
23 | 4TSZ | Kd = 99 nM | ACE GLN ALC ASP LEU ZCL | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 4MJR | Ki = 283 uM | 0LA | C15 H12 Cl N O2 | C[C@@H](c1.... |
2 | 4N94 | - | 2HO | C7 H5 F2 N O | c1cc(c(cc1.... |
3 | 4N98 | Ki = 280 uM | 4FC | C13 H9 F O2 | c1cc(ccc1c.... |
4 | 4N95 | - | 2HQ | C8 H4 Cl N O2 | c1cc2c(cc1.... |
5 | 4MJQ | Ki = 193 uM | 27R | C15 H12 Br N O3 | c1cc(c(c(c.... |
6 | 3D1E | - | THR LEU MET THR GLY GLN LEU GLY LEU PHE | n/a | n/a |
7 | 6FVM | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
8 | 3D1G | Ki ~ 10 uM | 322 | C14 H13 Br2 N O5 S2 | CCOc1cc(c(.... |
9 | 4K3O | Kd = 36.7 uM | ACE GLN ALA ASP LEU PHE | n/a | n/a |
10 | 4K3L | ic50 = 1.1 mM | ACE LEU PHE | n/a | n/a |
11 | 4N9A | Ki = 64 uM | 2J2 | C13 H12 Cl N O2 | c1cc2c(cc1.... |
12 | 4K3K | ic50 = 4.44 mM | SFK | C15 H21 N O3 | CC(C)CCC(=.... |
13 | 3D1F | - | SER GLU GLN VAL GLU LEU GLU PHE ASP 323 | n/a | n/a |
14 | 4K3M | Kd = 281.2 uM | ALA LEU ASP LEU PHE | n/a | n/a |
15 | 4K3R | Kd = 259.1 uM | ACE GLN LEU ASP LEU ALA | n/a | n/a |
16 | 4K3Q | Kd = 115.1 uM | ACE GLN LEU ASP ALA PHE | n/a | n/a |
17 | 4K3P | Kd = 1.6 uM | ACE GLN LEU ALA LEU PHE | n/a | n/a |
18 | 4N99 | Ki = 216 uM | 2J1 | C13 H12 Cl N O2 | c1c2c(cc(c.... |
19 | 4MJP | Ki = 131 uM | 27O | C19 H22 O2 | C[C@H](c1c.... |
20 | 6FVL | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
21 | 4N96 | - | 6NI | C7 H5 N3 O2 | c1cc2cn[nH.... |
22 | 4N97 | - | 2HU | C8 H6 N2 O2 | c1cc2c(cc[.... |
23 | 4TSZ | Kd = 99 nM | ACE GLN ALC ASP LEU ZCL | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SER GLU GLN VAL GLU LEU GLU PHE ASP 323 | 1 | 1 |
2 | VAL GLN GLN GLU SER SER PHE VAL MET | 0.432099 | 0.662162 |
3 | PHE GLU ASP LEU ARG VAL SER SER PHE | 0.418079 | 0.662338 |
4 | PHE GLU ASP LEU ARG VAL LEU SER PHE | 0.418079 | 0.662338 |
5 | ASP PHE GLN GLU SER ALA ASP SER PHE LEU | 0.416667 | 0.694444 |
6 | GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE | 0.41573 | 0.628205 |
7 | SER SER LEU GLU ASN PHE ALA ALA TYR VAL | 0.412429 | 0.689189 |
8 | GLY ILE LEU GLU PHE VAL PHE THR LEU | 0.410714 | 0.635135 |
9 | SER GLY ILE PHE LEU GLU THR SER | 0.407407 | 0.643836 |
10 | GLU ASP GLU ASP PHE GLU ILE LEU SER LEU | 0.405714 | 0.657534 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 4k3p.bio1) has 23 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |