Brief Information of the Compound and Protein
Compound Name
(S)-2-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-ylcarbamoyl)-4-methylpentyl((R)-1-amino-3-phenylpropyl)phosphinic acid
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PubChem ID
CID: 72193911
Canonical SMILES
CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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Compound Formula C27H37N4O4P
Compound Structure
Protein Name
Endoplasmic reticulum aminopeptidase 1
Protein Classification
Enzyme
>
Protease
>
Metallo protease
>
Metallo protease MAE clan
>
Metallo protease M1 family
Uniprot ID
Q9NZ08
Gene Name
ERAP1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 48 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 33 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 33 nM
2 IC50 = 52 nM
3 IC50 = 43000 nM