Receptor
PDB id Resolution Class Description Source Keywords
1ITU 2 Å EC: 3.4.13.19 HUMAN RENAL DIPEPTIDASE COMPLEXED WITH CILASTATIN HOMO SAPIENS DIPEPTIDASE GLYCOPROTEIN MEMBRANE-BOUND ZINC PROTEASE BETLACTAMASE CILASTATIN COMPLEX (HYDROLASE-INHIBITOR) HYDRO
Ref.: CRYSTAL STRUCTURE OF HUMAN RENAL DIPEPTIDASE INVOLV BETA-LACTAM HYDROLYSIS J.MOL.BIOL. V. 321 177 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIL A:451;
B:452;
Valid;
Valid;
none;
none;
submit data
358.453 C16 H26 N2 O5 S CC1(C...
NAG A:461;
A:463;
B:462;
B:464;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
ZN A:401;
A:402;
B:411;
B:412;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ITU 2 Å EC: 3.4.13.19 HUMAN RENAL DIPEPTIDASE COMPLEXED WITH CILASTATIN HOMO SAPIENS DIPEPTIDASE GLYCOPROTEIN MEMBRANE-BOUND ZINC PROTEASE BETLACTAMASE CILASTATIN COMPLEX (HYDROLASE-INHIBITOR) HYDRO
Ref.: CRYSTAL STRUCTURE OF HUMAN RENAL DIPEPTIDASE INVOLV BETA-LACTAM HYDROLYSIS J.MOL.BIOL. V. 321 177 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1ITU - CIL C16 H26 N2 O5 S CC1(C[C@@H....
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 1ITU - CIL C16 H26 N2 O5 S CC1(C[C@@H....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 3ITC Ki = 25 mM CIT C6 H8 O7 C(C(=O)O)C....
2 3K5X Ki = 390 nM P8D C7 H14 N O6 P C[C@H](N)[....
3 1ITU - CIL C16 H26 N2 O5 S CC1(C[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CIL 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ITU; Ligand: CIL; 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: 1itu.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1ITU; Ligand: CIL; 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: 1itu.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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