Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-pyrazin-2-ylbenzamide
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 PubChem ID
CID: 132214259
Canonical SMILES
Clc1ccc2c(NC(=O)[C@@H](Cc3cccnc3)N(Cc3ccc(cc3)C(=O)Nc3cnccn3)C2=O)c1
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Compound Formula C27H21ClN6O3
Compound Structure
Protein Name
 Protein Info 
Toxin B
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
P18177
Gene Name
TCDB
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 13000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 78 nM