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 214 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 (2D)
Ligand no: 1; Ligand: CIL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CIL 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: CIL; Similar ligands found: 16
No: Ligand Similarity coefficient
1 VAL LYS 0.9151
2 ALA GLN 0.9141
3 N88 0.9019
4 PAL 0.9017
5 AE5 0.8877
6 ALA LEU 0.8786
7 JAA 0.8770
8 AQK 0.8739
9 P8D 0.8726
10 ALA ZGL 0.8699
11 NQM 0.8675
12 ALA GLU 0.8660
13 ALA LYS 0.8621
14 ALA DGL 0.8580
15 TNG 0.8528
16 GAR 0.8525
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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