Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetE3 ubiquitin-protein ligase XIAP
LigandBDBM50388970
Substrate/Competitorn/a
Meas. Tech.ChEMBL_833598 (CHEMBL2066539)
Ki 190±n/a nM
Citation Flygare, JABeresini, MBudha, NChan, HChan, ITCheeti, SCohen, FDeshayes, KDoerner, KEckhardt, SGElliott, LOFeng, BFranklin, MCReisner, SFGazzard, LHalladay, JHymowitz, SGLa, HLoRusso, PMaurer, BMurray, LPlise, EQuan, CStephan, JPYoung, SGTom, JTsui, VUm, JVarfolomeev, EVucic, DWagner, AJWallweber, HJWang, LWare, JWen, ZWong, HWong, JMWong, MWong, SYu, RZobel, KFairbrother, 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 Chem55:4101-13 (2012) [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:
BDBM50388970
n/a
NameBDBM50388970
Synonyms:CHEMBL2063863
TypeSmall organic molecule
Emp. Form.C30H40N4O3S
Mol. Mass.536.729
SMILESCN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CSC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: