Receptor
PDB id Resolution Class Description Source Keywords
5WJ6 2.45 Å EC: 3.5.1.2 CRYSTAL STRUCTURE OF GLUTAMINASE C IN COMPLEX WITH INHIBITOR N-{5-[4-({5-[(PHENYLACETYL)AMINO]-1,3,4-THIADIAZOL-2-YL}AMIP IPERIDIN-1-YL]-1,3,4-THIADIAZOL-2-YL}ACETAMIDE (UPGL-00004 HOMO SAPIENS GLUTAMINASE C INHIBITOR COMPLEX GLUTAMINE HYDROLASE-HYDRINHIBITOR COMPLEX
Ref.: CHARACTERIZATION OF THE INTERACTIONS OF POTENT ALLO INHIBITORS WITH GLUTAMINASE C, A KEY ENZYME IN CANC GLUTAMINE METABOLISM. J. BIOL. CHEM. V. 293 3535 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B4A C:601;
A:601;
Valid;
Valid;
none;
none;
Kd = 27 nM
534.656 C25 H26 N8 O2 S2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WJ6 2.45 Å EC: 3.5.1.2 CRYSTAL STRUCTURE OF GLUTAMINASE C IN COMPLEX WITH INHIBITOR N-{5-[4-({5-[(PHENYLACETYL)AMINO]-1,3,4-THIADIAZOL-2-YL}AMIP IPERIDIN-1-YL]-1,3,4-THIADIAZOL-2-YL}ACETAMIDE (UPGL-00004 HOMO SAPIENS GLUTAMINASE C INHIBITOR COMPLEX GLUTAMINE HYDROLASE-HYDRINHIBITOR COMPLEX
Ref.: CHARACTERIZATION OF THE INTERACTIONS OF POTENT ALLO INHIBITORS WITH GLUTAMINASE C, A KEY ENZYME IN CANC GLUTAMINE METABOLISM. J. BIOL. CHEM. V. 293 3535 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5WJ6 Kd = 27 nM B4A C25 H26 N8 O2 S2 c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5WJ6 Kd = 27 nM B4A C25 H26 N8 O2 S2 c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5WJ6 Kd = 27 nM B4A C25 H26 N8 O2 S2 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: B4A; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 B4A 1 1
2 5XX 0.739726 0.9375
3 5XZ 0.517647 0.828571
4 04A 0.4 0.84127
Similar Ligands (3D)
Ligand no: 1; Ligand: B4A; 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 : 5WJ6; Ligand: B4A; 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: 5wj6.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5WJ6; Ligand: B4A; 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: 5wj6.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback