- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 1331 families. | |||||
1 | 6W7G | ic50 = 0.5 nM | Q3A | C23 H22 F N5 O3 S | Cc1ccc(c(n.... |
2 | 5U8A | Ki = 13 nM | 82D | C22 H25 Br F N3 | Cn1cc(c2c1.... |
3 | 6W7F | ic50 = 0.2 nM | Q3D | C24 H22 F N5 O3 S | CS(=O)(=O).... |
4 | 5TTW | Kd = 1.09 uM | PRO SER M3L PHE NLW | n/a | n/a |
5 | 5U69 | Ki = 600 nM | LQD | C23 H29 N3 O | Cn1cc(c2c1.... |
6 | 5U5H | ic50 = 1.3 uM | 7VV | C18 H24 F N3 O | CC(C)c1c2n.... |
7 | 3JZG | - | ALA ARG M3L SER | n/a | n/a |
8 | 5U8F | Ki = 11 nM | 82G | C24 H28 F N3 | Cn1cc(c2c1.... |
9 | 5H13 | ic50 = 11.58 uM | LQA | C25 H23 N3 O4 | [H]/N=C1/C.... |
10 | 5U5K | ic50 = 95 uM | 7VY | C13 H19 N O | COc1cccc(c.... |
11 | 5U6D | Ki = 2.6 nM | 7XG | C25 H30 F N5 O | Cc1cccc(c1.... |
12 | 6SFB | - | L9K | C21 H17 N5 O3 S | CS(=O)(=O).... |
13 | 6SFC | Kd = 5.2 uM | L9T | C16 H16 N4 O2 S | Cc1c(sc(n1.... |
14 | 3JZH | - | ASP PHE M3L THR ASP | n/a | n/a |
15 | 3K27 | - | LYS GLN THR ALA ARG M3L SER THR GLY | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6W7G | ic50 = 0.5 nM | Q3A | C23 H22 F N5 O3 S | Cc1ccc(c(n.... |
2 | 5U8A | Ki = 13 nM | 82D | C22 H25 Br F N3 | Cn1cc(c2c1.... |
3 | 6W7F | ic50 = 0.2 nM | Q3D | C24 H22 F N5 O3 S | CS(=O)(=O).... |
4 | 5TTW | Kd = 1.09 uM | PRO SER M3L PHE NLW | n/a | n/a |
5 | 5U69 | Ki = 600 nM | LQD | C23 H29 N3 O | Cn1cc(c2c1.... |
6 | 5U5H | ic50 = 1.3 uM | 7VV | C18 H24 F N3 O | CC(C)c1c2n.... |
7 | 3JZG | - | ALA ARG M3L SER | n/a | n/a |
8 | 5U8F | Ki = 11 nM | 82G | C24 H28 F N3 | Cn1cc(c2c1.... |
9 | 5H13 | ic50 = 11.58 uM | LQA | C25 H23 N3 O4 | [H]/N=C1/C.... |
10 | 5U5K | ic50 = 95 uM | 7VY | C13 H19 N O | COc1cccc(c.... |
11 | 5U6D | Ki = 2.6 nM | 7XG | C25 H30 F N5 O | Cc1cccc(c1.... |
12 | 6SFB | - | L9K | C21 H17 N5 O3 S | CS(=O)(=O).... |
13 | 6SFC | Kd = 5.2 uM | L9T | C16 H16 N4 O2 S | Cc1c(sc(n1.... |
14 | 3JZH | - | ASP PHE M3L THR ASP | n/a | n/a |
15 | 3K27 | - | LYS GLN THR ALA ARG M3L SER THR GLY | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PRO SER M3L PHE NLW | 1 | 1 |
2 | PRO GLN PHE SER LEU TRP LYS ARG | 0.515385 | 0.764706 |
3 | ARG PRO GLY ASN PHE LEU GLN SER SER PRO | 0.503876 | 0.8125 |
4 | THR PRO ASP TYR PHE LEU | 0.491071 | 0.685714 |
5 | ACE PHE ALA TYR M3L SER NH2 | 0.465517 | 0.823529 |
6 | ARG PRO GLY ASN PHE PHE GLN SER ARG PRO | 0.462687 | 0.680556 |
7 | PRO SER ARG VAL | 0.457944 | 0.695652 |
8 | PRO LEU GLU PSA ARG LEU | 0.451852 | 0.71831 |
9 | PRO SER ARG TRP | 0.447154 | 0.657534 |
10 | GLY ASN PHE LEU GLN SER ARG | 0.4375 | 0.661972 |
11 | PRO ALA TRP LEU PHE GLU ALA | 0.431655 | 0.681159 |
12 | PRO LEU SER LYS | 0.429907 | 0.793651 |
13 | LEU PRO PRO PRO GLU SER GLU SER LYS VAL | 0.421053 | 0.78125 |
14 | PRO ALA PRO PHE ALA SER ALA | 0.418605 | 0.818182 |
15 | ASP PHE M3L THR ASP | 0.416667 | 0.818182 |
16 | ARG ARG LEU PRO ILE PHE SER ARG LEU | 0.413793 | 0.767123 |
17 | PRO HIS PRO PHE HIS STA VAL ILE HIS LYS | 0.407143 | 0.728571 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 6w7f.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6w7f.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |