Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM50441810
Substrate
n/a
Meas. Tech.
ChEMBL_988991 (CHEMBL2437637)
IC50
9.0±n/a nM
Citation
 Kester, RFDonnell, AFLou, YRemiszewski, SWLombardo, LJChen, SLe, NTLo, JMoliterni, JAHan, XHogg, JHLiang, WMichoud, CRupert, KCMischke, SLe, KWeisel, MJanson, CALukacs, CMFretland, AJHong, KPolonskaia, AGao, LLi, SSolis, DSAguilar, DTardell, CDvorozniak, MTannu, SLee, ECSchutt, ADGoggin, B Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain. J Med Chem 56:7788-803 (2013) [PubMed]  Article 
Target
Name:
E3 ubiquitin-protein ligase XIAP
Synonyms:
API3 | BIRC4 | E3 ubiquitin-protein ligase XIAP | IAP3 | Inhibitor of apoptosis protein 3 | Inhibitor of apoptosis protein 3 (XIAP) | X-linked inhibitor of apoptosis | X-linked inhibitor of apoptosis protein (XIAP) | XIAP | XIAP_HUMAN
Type:
Protein
Mol. Mass.:
56685.27
Organism:
Homo sapiens (Human)
Description:
P98170
Residue:
497
Sequence:
MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDTVRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENYLGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSESDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTPSLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKDSMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDKCPMCYTVITFKQKIFMS
  
Inhibitor
Name:
BDBM50441810
Synonyms:
CHEMBL2436215 | US10053431, 76b
Type:
Small organic molecule
Emp. Form.:
C28H31BrN4O6S
Mol. Mass.:
631.538
SMILES:
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r|
Structure:
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