bestatin

Ligand id: 5151

Name: bestatin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 112.65
Molecular weight 308.17
XLogP 0.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoic acid
International Nonproprietary Names
INN number INN
5940 ubenimex
Synonyms
ubenimex
Database Links
CAS Registry No. 58970-76-6
ChEMBL Ligand CHEMBL476869
DrugBank Ligand DB03424
PubChem CID 439299
Search Google for chemical match using the InChIKey VGGGPCQERPFHOB-MCIONIFRSA-N
Search Google for chemicals with the same backbone VGGGPCQERPFHOB
Search PubMed clinical trials ubenimex
Search PubMed titles ubenimex
Search PubMed titles/abstracts ubenimex
Search UniChem for chemical match using the InChIKey VGGGPCQERPFHOB-MCIONIFRSA-N
Search UniChem for chemicals with the same backbone VGGGPCQERPFHOB
SynPHARM 13735 (in complex with Leukotriene A4 hydrolase)
Wikipedia Bestatin
Comments
Bestatin is a transition-state analogue of the dipeptide PheLeu, a substrate for aminopeptidases.