Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM50441804
Substrate
n/a
Meas. Tech.
ChEMBL_988990 (CHEMBL2437636)
IC50
>54000±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:
BDBM50441804
Synonyms:
CHEMBL2436323 | US10053431, 6
Type:
Small organic molecule
Emp. Form.:
C29H36N4O2
Mol. Mass.:
472.6217
SMILES:
CN[C@@H](C)C(=O)N[C@H]1CN(CCC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: