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Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM50450042
Substrate
n/a
Meas. Tech.
ChEMBL_1741810 (CHEMBL4157560)
IC50
14±n/a nM
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 Chem 61:7314-7329 (2018) [PubMed]  Article 
Target
Name:
E3 ubiquitin-protein ligase XIAP
Synonyms:
Inhibitor of apoptosis protein 3 | Inhibitor of apoptosis protein 3 (XIAP) | E3 ubiquitin-protein ligase XIAP | X-linked inhibitor of apoptosis | XIAP_HUMAN | XIAP | API3 | BIRC4 | IAP3 | X-linked inhibitor of apoptosis protein (XIAP)
Type:
Protein
Mol. Mass.:
56685.27
Organism:
Human
Description:
P98170
Residue:
497
Sequence:
MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDTVRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENYLGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSESDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTPSLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKDSMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDKCPMCYTVITFKQKIFMS
  
Inhibitor
Name:
BDBM50450042
Synonyms:
CHEMBL4168197
Type:
Small organic molecule
Emp. Form.:
C30H42FN5O2
Mol. Mass.:
523.7
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|
Structure:
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