| Reaction Details |
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 | Report a problem with these data |
| Target | E3 ubiquitin-protein ligase XIAP |
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| Ligand | BDBM50450043 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1741810 (CHEMBL4157560) |
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| IC50 | 2.9±n/a nM |
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| Citation |  Johnson, CN; Ahn, JS; Buck, IM; Chiarparin, E; Day, JEH; Hopkins, A; Howard, S; Lewis, EJ; Martins, V; Millemaggi, A; Munck, JM; Page, LW; Peakman, T; Reader, M; Rich, SJ; Saxty, G; Smyth, T; Thompson, NT; Ward, GA; Williams, PA; Wilsher, NE; Chessari, G A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one J Med Chem61:7314-7329 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| E3 ubiquitin-protein ligase XIAP |
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| Name: | E3 ubiquitin-protein ligase XIAP |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 56685.27 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P98170 |
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| Residue: | 497 |
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| Sequence: | MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDT
VRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENY
LGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLT
PRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSE
SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKC
FHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTP
SLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKD
SMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDK
CPMCYTVITFKQKIFMS
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| BDBM50450043 |
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| n/a |
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| Name | BDBM50450043 |
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| Synonyms: | CHEMBL4166607 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H42FN5O2 |
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| Mol. Mass. | 523.6852 |
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| SMILES | C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 |r| |
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| Structure | 
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