Receptor
PDB id Resolution Class Description Source Keywords
4EPQ 2.4 Å EC: 3.2.1.143 CANONICAL POLY(ADP-RIBOSE) GLYCOHYDROLASE RBPI INHIBITOR COM TETRAHYMENA THERMOPHILA TETRAHYMENA THERMOPHILA MACRO DOMAIN PAR HYDROLASE-INHIBITOR COMPLEX
Ref.: STRUCTURE AND MECHANISM OF A CANONICAL POLY(ADP-RIB GLYCOHYDROLASE. NAT COMMUN V. 3 878 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0RR A:501;
 Valid;
 none;
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527.828 C21 H13 Cl3 N2 O4 S2 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4L2H 1.46 Å EC: 3.2.1.143 STRUCTURE OF A CATALYTICALLY INACTIVE PARG IN COMPLEX WITH A RIBOSE FRAGMENT TETRAHYMENA THERMOPHILA MACRODOMAIN POLY-ADP-RIBOSE GLYCOHYDROLASE POLY-ADP-RIBOSEHYDROLASE
Ref.: VISUALIZATION OF POLY(ADP-RIBOSE) BOUND TO PARG REV INHERENT BALANCE BETWEEN EXO- AND ENDO-GLYCOHYDROLA ACTIVITIES. NAT COMMUN V. 4 2164 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4EPP - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 4L2H - AR6 AR6 n/a n/a
3 4EPQ - 0RR C21 H13 Cl3 N2 O4 S2 c1cc(c(c(c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4EPP - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 4L2H - AR6 AR6 n/a n/a
3 4EPQ - 0RR C21 H13 Cl3 N2 O4 S2 c1cc(c(c(c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4EPP - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 4L2H - AR6 AR6 n/a n/a
3 4EPQ - 0RR C21 H13 Cl3 N2 O4 S2 c1cc(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 0RR; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0RR 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 0RR; 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 : 4L2H; Ligand: AR6 AR6; 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: 4l2h.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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