Receptor
PDB id Resolution Class Description Source Keywords
2ZOF 2.3 Å EC: 3.4.13.18 CRYSTAL STRUCTURE OF MOUSE CARNOSINASE CN2 COMPLEXED WITH MN BESTATIN MUS MUSCULUS METALLOPEPTIDASE PROTEIN-INHIBITOR COMPLEX CNDP2 CNDP DIP2 CN2 BESTATIN L-CARNOSINE CARNOSINASE MN CARBOXYPEPTHYDROLASE METAL-BINDING METALLOPROTEASE PROTEASE ZINC
Ref.: STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION AND HYDR BY MOUSE CARNOSINASE CN2. J.BIOL.CHEM. V. 283 27289 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BES A:1080;
B:1081;
Valid;
Valid;
none;
none;
ic50 = 7 nM
308.373 C16 H24 N2 O4 CC(C)...
MN A:2001;
A:2002;
B:3001;
B:3002;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZOF 2.3 Å EC: 3.4.13.18 CRYSTAL STRUCTURE OF MOUSE CARNOSINASE CN2 COMPLEXED WITH MN BESTATIN MUS MUSCULUS METALLOPEPTIDASE PROTEIN-INHIBITOR COMPLEX CNDP2 CNDP DIP2 CN2 BESTATIN L-CARNOSINE CARNOSINASE MN CARBOXYPEPTHYDROLASE METAL-BINDING METALLOPROTEASE PROTEASE ZINC
Ref.: STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION AND HYDR BY MOUSE CARNOSINASE CN2. J.BIOL.CHEM. V. 283 27289 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZOG - BES C16 H24 N2 O4 CC(C)C[C@@....
2 2ZOF ic50 = 7 nM BES C16 H24 N2 O4 CC(C)C[C@@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZOG - BES C16 H24 N2 O4 CC(C)C[C@@....
2 2ZOF ic50 = 7 nM BES C16 H24 N2 O4 CC(C)C[C@@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZOG - BES C16 H24 N2 O4 CC(C)C[C@@....
2 2ZOF ic50 = 7 nM BES C16 H24 N2 O4 CC(C)C[C@@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BES; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 BES 1 1
2 D50 0.731343 0.829787
3 D66 0.704918 0.886364
4 PHE LEU 0.484848 0.756098
5 002 0.481013 0.68
6 ALA PHE 0.460317 0.658537
7 ING 0.433333 0.636364
8 ACE LEU PHE 0.428571 0.72093
9 LEU SER PRO ASP SER PHE LEU ASN ASP 0.421053 0.755556
10 ALA LEU ASP LEU PHE 0.421053 0.767442
11 SFK 0.41791 0.697674
12 7K0 0.411765 0.616667
13 BWX 0.410959 0.756098
Similar Ligands (3D)
Ligand no: 1; Ligand: BES; Similar ligands found: 1
No: Ligand Similarity coefficient
1 N4N 0.8537
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZOF; Ligand: BES; 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: 2zof.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2ZOF; Ligand: BES; 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: 2zof.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback