synpharm
A database of ligand-responsive protein sequences...

captopril

CAS Registry No. - 62571-86-2
ChEBI - CHEBI:3380
ChEMBL Ligand - CHEMBL1560
DrugBank Ligand - DB01197
PubChem CID - 44093
RCSB PDB Ligand - X8Z&sid=4C2P
Wikipedia - Captopril
PEP - captopril
RCSB PDB Ligand - X8Z
DrugCentral Ligand - 484
Reactome Drug - R-ALL-9614832
Reactome Reaction - R-HSA-9614933
Structure
Molecular Details
Molecular mass (Da) 217.07727
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Polar surface area (A2) 96.41
Lipinski rules broken 0
logP 0.638
Other Details
Ligand type Synthetic organic
Radiolabelled No
Approved Yes
Approval Source FDA (1981)
Responsive Sequences
Angiotensin-converting enzyme (243 residues)