Brief Information of the Compound and Protein
Compound Name
N-[(1S)-4-[(1-amino-2-fluoroethylidene)amino]-1-(5-methoxy-1-methylbenzimidazol-2-yl)butyl]-3-oxo-1,2-dihydroisoindole-4-carboxamide
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PubChem ID
CID: 134580790
Canonical SMILES
COc1ccc2n(C)c(nc2c1)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12
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Compound Formula C24H27FN6O3
Compound Structure
Protein Name
Protein-arginine deiminase type-2
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
Q9Y2J8
Gene Name
PADI2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  2
1
EC50 = 2100 nM
   TI
   LI
   LO
   TS
2
EC50 = 5900 nM
   TI
   LI
   LO
   TS