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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 2 families. | |||||
1 | 3ZM9 | - | QMQ | C30 H34 N7 | CN(C)c1cc[.... |
2 | 5EQY | Kd = 10 nM | 5RA | C27 H37 N5 | CN1CCCN(CC.... |
3 | 7A04 | - | QTK | C16 H19 N2 | c1ccc(cc1).... |
4 | 5FUT | Kd = 352 nM | PQ7 | C34 H42 N4 | CN(C)c1cc[.... |
5 | 4CG9 | - | GQG | C20 H21 N2 | CN(C)c1cc[.... |
6 | 4CG8 | Kd = 0.11 uM | G8S | C37 H41 Cl N4 | CN(C)c1cc[.... |
7 | 5AFV | Kd = 2.6 uM | JH5 | C16 H17 N4 | c1ccc(cc1).... |
8 | 5EQE | Kd = 132 uM | 5R8 | C14 H23 N3 | CN1CCCN(CC.... |
9 | 5FTG | Kd = 0.7 uM | NBR | C30 H36 N4 O2 | CN(C)c1cc[.... |
10 | 2CKQ | - | PC | C5 H15 N O4 P | C[N+](C)(C.... |
11 | 7A06 | - | QTH | C22 H23 N2 | c1ccc(cc1).... |
12 | 5W6O | ic50 = 520 nM | 9X1 | C46 H38 Cl2 N4 | CN(c1ccc(c.... |
13 | 5EQP | Kd = 4 uM | 5R9 | C16 H21 N3 | CN1CCCN(CC.... |
14 | 4BR3 | Kd = 1.9 uM | U85 | C26 H26 N7 | CN(C)c1cc[.... |
15 | 4CGA | - | QLW | C22 H25 N2 | CN(C)c1cc[.... |
16 | 4DA5 | Ki = 0.36 uM | 0H7 | C16 H17 Cl2 N O S2 | c1cc(sc1C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3ZM9 | - | QMQ | C30 H34 N7 | CN(C)c1cc[.... |
2 | 5EQY | Kd = 10 nM | 5RA | C27 H37 N5 | CN1CCCN(CC.... |
3 | 7A04 | - | QTK | C16 H19 N2 | c1ccc(cc1).... |
4 | 5FUT | Kd = 352 nM | PQ7 | C34 H42 N4 | CN(C)c1cc[.... |
5 | 4CG9 | - | GQG | C20 H21 N2 | CN(C)c1cc[.... |
6 | 4CG8 | Kd = 0.11 uM | G8S | C37 H41 Cl N4 | CN(C)c1cc[.... |
7 | 5AFV | Kd = 2.6 uM | JH5 | C16 H17 N4 | c1ccc(cc1).... |
8 | 5EQE | Kd = 132 uM | 5R8 | C14 H23 N3 | CN1CCCN(CC.... |
9 | 5FTG | Kd = 0.7 uM | NBR | C30 H36 N4 O2 | CN(C)c1cc[.... |
10 | 2CKQ | - | PC | C5 H15 N O4 P | C[N+](C)(C.... |
11 | 7A06 | - | QTH | C22 H23 N2 | c1ccc(cc1).... |
12 | 5W6O | ic50 = 520 nM | 9X1 | C46 H38 Cl2 N4 | CN(c1ccc(c.... |
13 | 5EQP | Kd = 4 uM | 5R9 | C16 H21 N3 | CN1CCCN(CC.... |
14 | 4BR3 | Kd = 1.9 uM | U85 | C26 H26 N7 | CN(C)c1cc[.... |
15 | 4CGA | - | QLW | C22 H25 N2 | CN(C)c1cc[.... |
16 | 4DA5 | Ki = 0.36 uM | 0H7 | C16 H17 Cl2 N O S2 | c1cc(sc1C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 0H7 | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 4da5.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4da5.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |