apstatin

Ligand id: 8803

Name: apstatin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 159.06
Molecular weight 459.25
XLogP 0.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-1-[(2S)-1-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carbonyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Database Links
ChEMBL Ligand CHEMBL311875
PubChem CID 447280
Search Google for chemical match using the InChIKey YVUUZAPYLPWFHE-HXFGRODQSA-N
Search Google for chemicals with the same backbone YVUUZAPYLPWFHE
Search UniChem for chemical match using the InChIKey YVUUZAPYLPWFHE-HXFGRODQSA-N
Search UniChem for chemicals with the same backbone YVUUZAPYLPWFHE
Comments
Apstatin is a tri-peptide-like inhibitor of membrane bound aminopeptidase P (mAPP; XPNPEP2) [1], which inhibits mAPP-induced degradation of bradykinin [2].