Receptor
PDB id Resolution Class Description Source Keywords
3QSB 1.9 Å EC: 2.7.7.7 STRUCTURE OF E. COLI POLIIIBETA WITH (Z)-5-(1-((4'-FLUOROBIP YL)METHOXYIMINO)BUTYL)-2,2-DIMETHYL-4,6-DIOXOCYCLOHEXANECAR ESCHERICHIA COLI DNA REPLICATION SLIDING CLAMP DNAN TRANSFERASE-TRANSFERASINHIBITOR COMPLEX
Ref.: BINDING INHIBITORS OF THE BACTERIAL SLIDING CLAMP B J.MED.CHEM. V. 54 4831 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
743 A:367;
B:367;
 Valid;
Valid;
 none;
none;
 ic50 = 8.3 uM
434.503 C26 H27 F N2 O3 CCC/C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QSB 1.9 Å EC: 2.7.7.7 STRUCTURE OF E. COLI POLIIIBETA WITH (Z)-5-(1-((4'-FLUOROBIP YL)METHOXYIMINO)BUTYL)-2,2-DIMETHYL-4,6-DIOXOCYCLOHEXANECAR ESCHERICHIA COLI DNA REPLICATION SLIDING CLAMP DNAN TRANSFERASE-TRANSFERASINHIBITOR COMPLEX
Ref.: BINDING INHIBITORS OF THE BACTERIAL SLIDING CLAMP B J.MED.CHEM. V. 54 4831 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 3QSB ic50 = 8.3 uM 743 C26 H27 F N2 O3 CCC/C(=N/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 3QSB ic50 = 8.3 uM 743 C26 H27 F N2 O3 CCC/C(=N/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 3QSB ic50 = 8.3 uM 743 C26 H27 F N2 O3 CCC/C(=N/O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 743; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 743 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 743; 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 : 3QSB; Ligand: 743; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3qsb.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5G48 1FL 42.623
Pocket No.: 2; Query (leader) PDB : 3QSB; Ligand: 743; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 3qsb.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5G48 1FL 42.623
2 5G48 1FL 42.623
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