Receptor
PDB id Resolution Class Description Source Keywords
5O2D 1.6 Å EC: 2.4.2.30 PARP14 MACRODOMAIN 2 WITH INHIBITOR HOMO SAPIENS PARP ADP-RIBOSE STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC ADP-RIBOSE-BINDING-PROTEIN
Ref.: DISCOVERY OF A SELECTIVE ALLOSTERIC INHIBITOR TARGE MACRODOMAIN 2 OF POLYADENOSINE-DIPHOSPHATE-RIBOSE P 14. ACS CHEM. BIOL. V. 12 2866 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
9HH A:1201;
 Valid;
 none;
 submit data
336.408 C19 H16 N2 O2 S CS(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5O2D 1.6 Å EC: 2.4.2.30 PARP14 MACRODOMAIN 2 WITH INHIBITOR HOMO SAPIENS PARP ADP-RIBOSE STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC ADP-RIBOSE-BINDING-PROTEIN
Ref.: DISCOVERY OF A SELECTIVE ALLOSTERIC INHIBITOR TARGE MACRODOMAIN 2 OF POLYADENOSINE-DIPHOSPHATE-RIBOSE P 14. ACS CHEM. BIOL. V. 12 2866 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 5O2D - 9HH C19 H16 N2 O2 S CS(=O)(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 5O2D - 9HH C19 H16 N2 O2 S CS(=O)(=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5O2D - 9HH C19 H16 N2 O2 S CS(=O)(=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 9HH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9HH 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 9HH; Similar ligands found: 5
No: Ligand Similarity coefficient
1 QVB 0.8914
2 E44 0.8822
3 4RV 0.8706
4 38B 0.8538
5 Z8B 0.8536
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5O2D; Ligand: 9HH; 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: 5o2d.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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