yzm18

Ligand id: 8853

Name: yzm18

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 8
Rotatable bonds 26
Topological polar surface area 288.64
Molecular weight 676.31
XLogP -1.36
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-methylsulfonylpent-4-enoic acid
Database Links
ChEMBL Ligand CHEMBL570714
PubChem CID 45486536
Search Google for chemical match using the InChIKey CYOSFMPARINMQP-DRFTYPOQSA-N
Search Google for chemicals with the same backbone CYOSFMPARINMQP
Search UniChem for chemical match using the InChIKey CYOSFMPARINMQP-DRFTYPOQSA-N
Search UniChem for chemicals with the same backbone CYOSFMPARINMQP
Comments
Yzm18 is an inhibitor of the threonine aspartase, taspase 1 (TASP1), with its structure based on that of the preferred enzyme cleavage site Ac-Ile-Ser-Gln-Leu-Asp.