Brief Information of the Compound and Protein
Compound Name
1-[2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]acetyl]-6-[(4-fluorophenyl)methyl]-3,3,4-trimethyl-2H-pyrrolo[3,2-b]pyridin-5-one
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PubChem ID
CID: 126502417
Canonical SMILES
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1
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Compound Formula C31H44FN5O3
Compound Structure
Protein Name
E3 ubiquitin-protein ligase XIAP
Protein Classification
Other cytosolic protein
Uniprot ID
P98170
Gene Name
XIAP
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 0.83 nM
   TI
   LI
   LO
   TS