compound 17 [PMID: 23916253]

Ligand id: 8666

Name: compound 17 [PMID: 23916253]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 14
Topological polar surface area 173.56
Molecular weight 441.24
XLogP 0.91
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-6-amino-2-[[4-amino-3-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoyl]amino]hexanoic acid
Comments
Compound 17 is reported from a structure-activity study to identify novel aminopeptidase inhibitors that improve antigen processing [1], principally by inhibiting the endoplasmic reticulum aminopeptidases, ERAP1 and ERAP2, as well as the insulin regulated aminopeptidase IRAP (LNPEP).
Database Links
ChEMBL Ligand CHEMBL2420382
GtoPdb PubChem SID 252166866
PubChem CID 71817810
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