Receptor
PDB id Resolution Class Description Source Keywords
4n14 2.1 Å NON-ENZYME: CELL_CYCLE CRYSTAL STRUCTURE OF CDC20 AND APCIN COMPLEX HOMO SAPIENS CELL CYCLE MITOSIS SECURIN UBIQUITINATION WD40 CELL CYCCYCLE INHIBITOR COMPLEX
Ref.: SYNERGISTIC BLOCKADE OF MITOTIC EXIT BY TWO CHEMICA INHIBITORS OF THE APC/C. NATURE V. 514 646 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
WR7 A:501;
 Valid;
 none;
 Ki = 23 uM
438.654 C13 H14 Cl3 N7 O4 Cc1nc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N14 2.1 Å NON-ENZYME: CELL_CYCLE CRYSTAL STRUCTURE OF CDC20 AND APCIN COMPLEX HOMO SAPIENS CELL CYCLE MITOSIS SECURIN UBIQUITINATION WD40 CELL CYCCYCLE INHIBITOR COMPLEX
Ref.: SYNERGISTIC BLOCKADE OF MITOTIC EXIT BY TWO CHEMICA INHIBITORS OF THE APC/C. NATURE V. 514 646 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 4N14 Ki = 23 uM WR7 C13 H14 Cl3 N7 O4 Cc1ncc(n1C....
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 4N14 Ki = 23 uM WR7 C13 H14 Cl3 N7 O4 Cc1ncc(n1C....
50% 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 4N14 Ki = 23 uM WR7 C13 H14 Cl3 N7 O4 Cc1ncc(n1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: WR7; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 WR7 1 1
2 1VQ 0.4 0.711111
Similar Ligands (3D)
Ligand no: 1; Ligand: WR7; 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 : 4N14; Ligand: WR7; 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: 4n14.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback