peptide 4 [PMID: 18294843]

Ligand id: 8582

Name: peptide 4 [PMID: 18294843]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 8
Rotatable bonds 18
Topological polar surface area 244.12
Molecular weight 484.28
XLogP -3.97
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]prop-2-enoylamino]-3-methylbutanoyl]amino]propanoic acid
Database Links
ChEMBL Ligand CHEMBL263633
PubChem CID 44450050
Search Google for chemical match using the InChIKey VZQHRKZCAZCACO-PYJNHQTQSA-N
Search Google for chemicals with the same backbone VZQHRKZCAZCACO
Search UniChem for chemical match using the InChIKey VZQHRKZCAZCACO-PYJNHQTQSA-N
Search UniChem for chemicals with the same backbone VZQHRKZCAZCACO
Comments
Peptide 4 is reported as an inhibitor of tripeptidyl peptidase II (TPP2) [1]. TPP2 is vital for essential processes such as antigen processing, apoptosis and cell division, with inhibitors predicted to have clinical potential in muscle wasting diseases, obesity, and cancer [2].