Brief Information of the Compound and Protein
Compound Name
(3R)-8-chloro-4-[[4-(1-methylimidazole-2-carbonyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
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PubChem ID
CID: 132214417
Canonical SMILES
Cn1ccnc1C(=O)c1ccc(CN2[C@H](Cc3ccccn3)C(=O)Nc3cc(Cl)ccc3C2=O)cc1
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Compound Formula C27H22ClN5O3
Compound Structure
Protein Name
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 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 190 nM