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TargetE3 ubiquitin-protein ligase XIAP
LigandBDBM44264
Substrate/Competitorn/a
Meas. Tech.ChEMBL_757199 (CHEMBL1803423)
Ki 55±n/a nM
Citation González-López, MWelsh, KFinlay, DArdecky, RJGanji, SRSu, YYuan, HTeriete, PMace, PDRiedl, SJVuori, KReed, JCCosford, ND Design, synthesis and evaluation of monovalent Smac mimetics that bind to the BIR2 domain of the anti-apoptotic protein XIAP. Bioorg Med Chem Lett21:4332-6 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
E3 ubiquitin-protein ligase XIAP
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:
MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDT
VRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENY
LGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLT
PRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSE
SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKC
FHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTP
SLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKD
SMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDK
CPMCYTVITFKQKIFMS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM44264
n/a
NameBDBM44264
Synonyms:CHEMBL1621842 | MLS-0390982.0001 | cid_25241639 | formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-pyrrolidinecarboxamide | formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide | formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-tetralin-1-yl]pyrrolidine-2-carboxamide | methanoic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
TypeSmall organic molecule
Emp. Form.C24H36N4O3
Mol. Mass.428.5676
SMILESCN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12
Structure
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