Receptor
PDB id Resolution Class Description Source Keywords
3VOZ 2.4 Å EC: 3.5.1.2 CRYSTAL STRUCTURE OF HUMAN GLUTAMINASE IN COMPLEX WITH BPTES HOMO SAPIENS HYDROLASE-HYDROLASE INHIBTIOR COMPLEX
Ref.: STRUCTURAL BASIS FOR THE ALLOSTERIC INHIBITORY MECH HUMAN KIDNEY-TYPE GLUTAMINASE (KGA) AND ITS REGULAT RAF-MEK-ERK SIGNALING IN CANCER CELL METABOLISM. PROC.NATL.ACAD.SCI.USA V. 109 7705 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
04A A:601;
Valid;
none;
ic50 = 0.14 uM
524.681 C24 H24 N6 O2 S3 c1ccc...
SO4 A:602;
A:603;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VOZ 2.4 Å EC: 3.5.1.2 CRYSTAL STRUCTURE OF HUMAN GLUTAMINASE IN COMPLEX WITH BPTES HOMO SAPIENS HYDROLASE-HYDROLASE INHIBTIOR COMPLEX
Ref.: STRUCTURAL BASIS FOR THE ALLOSTERIC INHIBITORY MECH HUMAN KIDNEY-TYPE GLUTAMINASE (KGA) AND ITS REGULAT RAF-MEK-ERK SIGNALING IN CANCER CELL METABOLISM. PROC.NATL.ACAD.SCI.USA V. 109 7705 2012
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3VOZ ic50 = 0.14 uM 04A C24 H24 N6 O2 S3 c1ccc(cc1)....
2 3CZD - GLU C5 H9 N O4 C(CC(=O)O)....
3 3VP1 - 04A C24 H24 N6 O2 S3 c1ccc(cc1)....
4 3VP0 - GLN C5 H10 N2 O3 C(CC(=O)N)....
5 3VP4 - BP9 C8 H12 N6 S2 C(CCc1nnc(....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3VOZ ic50 = 0.14 uM 04A C24 H24 N6 O2 S3 c1ccc(cc1)....
2 3CZD - GLU C5 H9 N O4 C(CC(=O)O)....
3 3VP1 - 04A C24 H24 N6 O2 S3 c1ccc(cc1)....
4 3VP0 - GLN C5 H10 N2 O3 C(CC(=O)N)....
5 3VP4 - BP9 C8 H12 N6 S2 C(CCc1nnc(....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3VOZ ic50 = 0.14 uM 04A C24 H24 N6 O2 S3 c1ccc(cc1)....
2 3CZD - GLU C5 H9 N O4 C(CC(=O)O)....
3 3VP1 - 04A C24 H24 N6 O2 S3 c1ccc(cc1)....
4 3VP0 - GLN C5 H10 N2 O3 C(CC(=O)N)....
5 3VP4 - BP9 C8 H12 N6 S2 C(CCc1nnc(....
6 3UO9 ic50 = 0.08 uM 04A C24 H24 N6 O2 S3 c1ccc(cc1)....
7 5FI7 ic50 = 30 nM 5XZ C24 H23 N7 O3 S2 c1ccc(cc1)....
8 5FI2 ic50 = 70 nM 5XX C24 H24 N8 O2 S2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 04A; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 04A 1 1
2 B4A 0.4 0.84127
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VOZ; Ligand: 04A; 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: 3voz.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3VOZ; Ligand: 04A; 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: 3voz.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3VOZ; Ligand: 04A; 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: 3voz.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3VOZ; Ligand: 04A; 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: 3voz.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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