compound 2g [PMID: 27390066]

Ligand id: 9682

Name: compound 2g [PMID: 27390066]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 153.57
Molecular weight 406.13
XLogP 4.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[[1-amino-3-(4-nitrophenyl)propyl]-hydroxyphosphoryl]methyl]-3-phenylpropanoic acid
Database Links
BindingDB Ligand 50025046
ChEMBL Ligand CHEMBL3355101
GtoPdb PubChem SID 348353641
PubChem CID 118720630
Search Google for chemical match using the InChIKey YSYQXQQIKOEBNN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YSYQXQQIKOEBNN
Search UniChem for chemical match using the InChIKey YSYQXQQIKOEBNN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YSYQXQQIKOEBNN
Comments
Compound 2g [PMID: 27390066] is a non-selective inhibitor of the human endoplasmic reticulum aminopeptidases ERAP1 and ERAP2 [1]. The action of this compound can be compared with that of the ERAP2-selective compound 3v [PMID: 27390066].