Receptor
PDB id Resolution Class Description Source Keywords
3RZ3 2.3 Å EC: 6.3.2.19 HUMAN CDC34 E2 IN COMPLEX WITH CC0651 INHIBITOR HOMO SAPIENS UBIQUITIN CONJUGATING ENZYME DOMAIN E2 DOMAIN LIGASE-LIGASINHIBITOR COMPLEX
Ref.: AN ALLOSTERIC INHIBITOR OF THE HUMAN CDC34 UBIQUITI CONJUGATING ENZYME CELL(CAMBRIDGE,MASS.) V. 145 1075 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
U94 A:1;
B:1;
C:1;
D:1;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 1.72 uM
442.29 C20 H21 Cl2 N O6 COCC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RZ3 2.3 Å EC: 6.3.2.19 HUMAN CDC34 E2 IN COMPLEX WITH CC0651 INHIBITOR HOMO SAPIENS UBIQUITIN CONJUGATING ENZYME DOMAIN E2 DOMAIN LIGASE-LIGASINHIBITOR COMPLEX
Ref.: AN ALLOSTERIC INHIBITOR OF THE HUMAN CDC34 UBIQUITI CONJUGATING ENZYME CELL(CAMBRIDGE,MASS.) V. 145 1075 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3RZ3 ic50 = 1.72 uM U94 C20 H21 Cl2 N O6 COCC(=O)N[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3RZ3 ic50 = 1.72 uM U94 C20 H21 Cl2 N O6 COCC(=O)N[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3RZ3 ic50 = 1.72 uM U94 C20 H21 Cl2 N O6 COCC(=O)N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: U94; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 U94 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RZ3; Ligand: U94; 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: 3rz3.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3RZ3; Ligand: U94; 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: 3rz3.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3RZ3; Ligand: U94; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3rz3.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3RZ3; Ligand: U94; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3rz3.bio4) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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