Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetE3 ubiquitin-protein ligase XIAP
LigandBDBM50574934
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2123717 (CHEMBL4832950)
IC50 40±n/a nM
Citation Miah, AHSmith, IEDRackham, MMares, AThawani, ARNagilla, RHaile, PAVotta, BJGordon, LJWatt, GDenyer, JFisher, DTDace, PGiffen, PGoncalves, AChurcher, IScott-Stevens, PHarling, JD Optimization of a Series of RIPK2 PROTACs. J Med Chem64:12978-13003 (2021) [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:
BDBM50574934
n/a
NameBDBM50574934
Synonyms:CHEMBL4876228
TypeSmall organic molecule
Emp. Form.C54H67FN14O7S2
Mol. Mass.1107.328
SMILESCN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: