GGsTop

Ligand id: 10265

Name: GGsTop

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 145.96
Molecular weight 331.08
XLogP -2.03
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-amino-4-[[3-(carboxymethyl)phenoxy]-methoxyphosphoryl]butanoic acid
Comments
GGsTop is a nontoxic, and irreversible inhibitor of γ-glutamyltransferase (γ-glutamyl transpeptidase) [1] (it is phosphonate diester 5a in this reference). The compound has two stereogenic centers and therefore has the potential to exist in 4 stereoisomeric forms [2]. We show the structure without specified stereochemistry to represent the racemic mixture.
Database Links
CAS Registry No. 926281-37-0 (source: PubChem)
ChEMBL Ligand CHEMBL3948970
GtoPdb PubChem SID 381744946
PubChem CID 23582776
Search Google for chemical match using the InChIKey NTFPDEDRMYYPAC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NTFPDEDRMYYPAC
Search UniChem for chemical match using the InChIKey NTFPDEDRMYYPAC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NTFPDEDRMYYPAC

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Tocris
GGsTop
Cat. No. 4452