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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4BPM | Ki = 2.4 nM | LVJ | C27 H32 Cl2 F3 N5 O4 | CC(C)(C)C(.... |
2 | 4AL0 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
3 | 4YL3 | ic50 = 3.94 uM | 4U9 | C23 H11 Br Cl F4 N3 | c1cc(c(c(c.... |
4 | 5T36 | ic50 = 0.043 uM | 755 | C18 H25 Cl N2 O3 | CC(C)(C)C(.... |
5 | 5T37 | ic50 = 0.241 uM | 758 | C16 H19 Cl N4 O2 | CC(C)(C)C(.... |
6 | 5K0I | ic50 = 0.002 uM | 6PW | C24 H33 N3 O3 | Cc1cccc2c1.... |
7 | 5BQG | ic50 = 17.4 uM | 4UJ | C16 H11 Cl N2 O S | c1ccc(cc1).... |
8 | 5BQI | ic50 = 0.9 nM | 4UL | C23 H22 F5 N5 O2 | Cc1c(nc([n.... |
9 | 5TL9 | ic50 = 1 nM | 7DN | C30 H35 N3 O3 | Cc1cccc2c1.... |
10 | 5BQH | ic50 < 3 nM | 4UK | C22 H21 Cl F2 N4 O2 | CC(C)C(=O).... |
11 | 4AL1 | - | 48T | C24 H27 N3 O7 S | c1ccc(cc1).... |
12 | 4YL0 | ic50 = 1.59 uM | 4DZ | C23 H11 Cl N4 | c1ccc2c(c1.... |
13 | 6VL4 | - | BOG | C14 H28 O6 | CCCCCCCCO[.... |
14 | 4YL1 | ic50 = 2.58 uM | 4U8 | C28 H29 N O3 | CC(C)Oc1cc.... |
15 | 4YK5 | ic50 = 0.96 uM | 4DV | C34 H31 Cl F N O2 | Cc1ccccc1c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4BPM | Ki = 2.4 nM | LVJ | C27 H32 Cl2 F3 N5 O4 | CC(C)(C)C(.... |
2 | 4AL0 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
3 | 4YL3 | ic50 = 3.94 uM | 4U9 | C23 H11 Br Cl F4 N3 | c1cc(c(c(c.... |
4 | 5T36 | ic50 = 0.043 uM | 755 | C18 H25 Cl N2 O3 | CC(C)(C)C(.... |
5 | 5T37 | ic50 = 0.241 uM | 758 | C16 H19 Cl N4 O2 | CC(C)(C)C(.... |
6 | 5K0I | ic50 = 0.002 uM | 6PW | C24 H33 N3 O3 | Cc1cccc2c1.... |
7 | 5BQG | ic50 = 17.4 uM | 4UJ | C16 H11 Cl N2 O S | c1ccc(cc1).... |
8 | 5BQI | ic50 = 0.9 nM | 4UL | C23 H22 F5 N5 O2 | Cc1c(nc([n.... |
9 | 5TL9 | ic50 = 1 nM | 7DN | C30 H35 N3 O3 | Cc1cccc2c1.... |
10 | 5BQH | ic50 < 3 nM | 4UK | C22 H21 Cl F2 N4 O2 | CC(C)C(=O).... |
11 | 4AL1 | - | 48T | C24 H27 N3 O7 S | c1ccc(cc1).... |
12 | 4YL0 | ic50 = 1.59 uM | 4DZ | C23 H11 Cl N4 | c1ccc2c(c1.... |
13 | 6VL4 | - | BOG | C14 H28 O6 | CCCCCCCCO[.... |
14 | 4YL1 | ic50 = 2.58 uM | 4U8 | C28 H29 N O3 | CC(C)Oc1cc.... |
15 | 4YK5 | ic50 = 0.96 uM | 4DV | C34 H31 Cl F N O2 | Cc1ccccc1c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 48T | 1 | 1 |
2 | CNZ | 0.792683 | 0.977778 |
3 | 1R4 | 0.694118 | 0.683333 |
4 | GSB | 0.6 | 0.909091 |
5 | GSO | 0.593023 | 0.931818 |
6 | HGD | 0.56962 | 0.72 |
7 | AHE | 0.556962 | 0.804348 |
8 | GSM | 0.544304 | 0.787234 |
9 | GS8 | 0.531646 | 0.692308 |
10 | GDS | 0.531646 | 0.72 |
11 | P9H | 0.526882 | 0.847826 |
12 | GVX | 0.515464 | 0.795918 |
13 | 0HH | 0.511111 | 0.711538 |
14 | GBI | 0.510638 | 0.816327 |
15 | GTB | 0.5 | 0.666667 |
16 | TGG | 0.482759 | 0.765957 |
17 | GSH | 0.481013 | 0.8 |
18 | GPS | 0.479592 | 0.823529 |
19 | GPR | 0.479592 | 0.823529 |
20 | GIP | 0.454545 | 0.609375 |
21 | GSF | 0.452381 | 0.610169 |
22 | GBP | 0.45 | 0.609375 |
23 | GNB | 0.446602 | 0.609375 |
24 | BOB | 0.44 | 0.685185 |
25 | LZ6 | 0.439252 | 0.727273 |
26 | GAZ | 0.415094 | 0.714286 |
27 | VWW | 0.40404 | 0.909091 |
28 | GTX | 0.4 | 0.698113 |
29 | GBX | 0.4 | 0.792453 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5bqi.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5bqi.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5bqi.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5bqi.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 5bqi.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 5bqi.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |