Receptor
PDB id Resolution Class Description Source Keywords
6UEL 1.9 Å EC: 6.3.4.16 CPS1 BOUND TO ALLOSTERIC INHIBITOR H3B-193 HOMO SAPIENS ALLOSTERIC INHIBITOR CPS1 LIGASE TRANSFERASE LIGASE-LIGAINHIBITOR COMPLEX
Ref.: SMALL MOLECULE INHIBITION OF CPS1 ACTIVITY THROUGH ALLOSTERIC POCKET. CELL CHEM BIOL V. 27 259 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:1601;
A:1601;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
Q5A A:1602;
B:1602;
 Valid;
Valid;
 none;
none;
 submit data
390.475 C19 H23 F N4 O2 S Cc1cs...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6UEL 1.9 Å EC: 6.3.4.16 CPS1 BOUND TO ALLOSTERIC INHIBITOR H3B-193 HOMO SAPIENS ALLOSTERIC INHIBITOR CPS1 LIGASE TRANSFERASE LIGASE-LIGAINHIBITOR COMPLEX
Ref.: SMALL MOLECULE INHIBITION OF CPS1 ACTIVITY THROUGH ALLOSTERIC POCKET. CELL CHEM BIOL V. 27 259 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6UEL - Q5A C19 H23 F N4 O2 S Cc1csc(n1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6UEL - Q5A C19 H23 F N4 O2 S Cc1csc(n1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6UEL - Q5A C19 H23 F N4 O2 S Cc1csc(n1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: Q5A; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 Q5A 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: Q5A; 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 : 6UEL; Ligand: Q5A; 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: 6uel.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6UEL; Ligand: Q5A; 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: 6uel.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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