Receptor
PDB id Resolution Class Description Source Keywords
6C8C 1.5 Å EC: 2.7.7.7 CHIMERIC POL KAPPA RIR REV1 C-TERMINAL DOMAIN IN COMPLEX WIT MUS MUSCULUS TRANSLESION SYNTHESIS DNA DAMAGE TOLERANCE REV1 REPLICATI
Ref.: A SMALL MOLECULE TARGETING MUTAGENIC TRANSLESION SY IMPROVES CHEMOTHERAPY. CELL V. 178 152 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EQ7 B:201;
 Valid;
 none;
 ic50 = 0.78 uM
468.718 C20 H16 Cl3 N3 O4 CC(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6C8C 1.5 Å EC: 2.7.7.7 CHIMERIC POL KAPPA RIR REV1 C-TERMINAL DOMAIN IN COMPLEX WIT MUS MUSCULUS TRANSLESION SYNTHESIS DNA DAMAGE TOLERANCE REV1 REPLICATI
Ref.: A SMALL MOLECULE TARGETING MUTAGENIC TRANSLESION SY IMPROVES CHEMOTHERAPY. CELL V. 178 152 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 6C8C ic50 = 0.78 uM EQ7 C20 H16 Cl3 N3 O4 CC(C)CC(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 6C8C ic50 = 0.78 uM EQ7 C20 H16 Cl3 N3 O4 CC(C)CC(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 6C8C ic50 = 0.78 uM EQ7 C20 H16 Cl3 N3 O4 CC(C)CC(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EQ7; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EQ7 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: EQ7; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6C8C; Ligand: EQ7; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 6c8c.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 6LM1 D10 None
2 6LM1 OCT None
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