S-BMPA

Ligand id: 8676

Name: S-BMPA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 76.1
Molecular weight 196.06
XLogP 4.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-(phenylmethyl)-3-sulfanylpropanoic acid
Database Links
ChEMBL Ligand CHEMBL90403
PubChem CID 5287850
RCSB PDB Ligand BTP
Search Google for chemical match using the InChIKey ZUEBVBPVXLQMQR-SECBINFHSA-N
Search Google for chemicals with the same backbone ZUEBVBPVXLQMQR
Search UniChem for chemical match using the InChIKey ZUEBVBPVXLQMQR-SECBINFHSA-N
Search UniChem for chemicals with the same backbone ZUEBVBPVXLQMQR
Comments
S-BMPA is reported as the active enantiomer for inhibition of carboxypeptidase A [1].