Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM50388971
Substrate
n/a
Meas. Tech.
ChEMBL_833598 (CHEMBL2066539)
Ki
7600±n/a nM
Citation
 Flygare, JA; Beresini, M; Budha, N; Chan, H; Chan, IT; Cheeti, S; Cohen, F; Deshayes, K; Doerner, K; Eckhardt, SG; Elliott, LO; Feng, B; Franklin, MC; Reisner, SF; Gazzard, L; Halladay, J; Hymowitz, SG; La, H; LoRusso, P; Maurer, B; Murray, L; Plise, E; Quan, C; Stephan, JP; Young, SG; Tom, J; Tsui, V; Um, J; Varfolomeev, E; Vucic, D; Wagner, AJ; Wallweber, HJ; Wang, L; Ware, J; Wen, Z; Wong, H; Wong, JM; Wong, M; Wong, S; Yu, R; Zobel, K; Fairbrother, WJ Discovery of a potent small-molecule antagonist of inhibitor of apoptosis (IAP) proteins and clinical candidate for the treatment of cancer (GDC-0152). J Med Chem 55:4101-13 (2012) [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:
BDBM50388971
Synonyms:
CHEMBL2063864
Type:
Small organic molecule
Emp. Form.:
C31H42N4O3
Mol. Mass.:
n/a
SMILES:
CC(C)[C@H](NC(=O)[C@H](C)NCC1CC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Structure:
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