Receptor
PDB id Resolution Class Description Source Keywords
1CHM 1.9 Å EC: 3.5.3.3 ENZYMATIC MECHANISM OF CREATINE AMIDINOHYDROLASE AS DEDUCED FROM CRYSTAL STRUCTURES PSEUDOMONAS PUTIDA CREATINASE
Ref.: ENZYMATIC MECHANISM OF CREATINE AMIDINOHYDROLASE AS DEDUCED FROM CRYSTAL STRUCTURES. J.MOL.BIOL. V. 214 597 1990
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CMS A:404;
B:404;
Valid;
Valid;
none;
none;
Ki = 0.22 mM
132.118 C4 H8 N2 O3 CN(CC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CHM 1.9 Å EC: 3.5.3.3 ENZYMATIC MECHANISM OF CREATINE AMIDINOHYDROLASE AS DEDUCED FROM CRYSTAL STRUCTURES PSEUDOMONAS PUTIDA CREATINASE
Ref.: ENZYMATIC MECHANISM OF CREATINE AMIDINOHYDROLASE AS DEDUCED FROM CRYSTAL STRUCTURES. J.MOL.BIOL. V. 214 597 1990
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1CHM Ki = 0.22 mM CMS C4 H8 N2 O3 CN(CC(=O)O....
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 1CHM Ki = 0.22 mM CMS C4 H8 N2 O3 CN(CC(=O)O....
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 1CHM Ki = 0.22 mM CMS C4 H8 N2 O3 CN(CC(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CMS; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CMS 1 1
2 CRN 0.6 0.775
3 DMG 0.545455 0.605263
4 IOM 0.481481 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CHM; Ligand: CMS; 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: 1chm.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1CHM; Ligand: CMS; 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: 1chm.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback