Receptor
PDB id Resolution Class Description Source Keywords
2gvj 2.1 Å EC: 2.4.2.12 CRYSTAL STRUCTURE OF HUMAN NMPRTASE IN COMPLEX WITH FK866 HOMO SAPIENS NMPRTASE VISFATIN PBEF CANCER FK866 TRANSFERASE
Ref.: MOLECULAR BASIS FOR THE INHIBITION OF HUMAN NMPRTAS NOVEL TARGET FOR ANTICANCER AGENTS. NAT.STRUCT.MOL.BIOL. V. 13 582 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DGB A:502;
B:501;
 Valid;
Valid;
 none;
none;
 Ki = 0.3 nM
391.506 C24 H29 N3 O2 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GVJ 2.1 Å EC: 2.4.2.12 CRYSTAL STRUCTURE OF HUMAN NMPRTASE IN COMPLEX WITH FK866 HOMO SAPIENS NMPRTASE VISFATIN PBEF CANCER FK866 TRANSFERASE
Ref.: MOLECULAR BASIS FOR THE INHIBITION OF HUMAN NMPRTAS NOVEL TARGET FOR ANTICANCER AGENTS. NAT.STRUCT.MOL.BIOL. V. 13 582 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2GVJ Ki = 0.3 nM DGB C24 H29 N3 O2 c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2GVJ Ki = 0.3 nM DGB C24 H29 N3 O2 c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2GVJ Ki = 0.3 nM DGB C24 H29 N3 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DGB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DGB 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: DGB; Similar ligands found: 1
No: Ligand Similarity coefficient
1 2HL 0.8660
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GVJ; Ligand: DGB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2gvj.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GVJ; Ligand: DGB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2gvj.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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