Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetE3 ubiquitin-protein ligase XIAP
LigandBDBM50501944
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1806082 (CHEMBL4305441)
IC50 15±n/a nM
Citation Gambini, LBaggio, CUdompholkul, PJossart, JSalem, AFPerry, JJPPellecchia, M Covalent Inhibitors of Protein-Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues. J Med Chem62:5616-5627 (2019) [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:
BDBM50501944
n/a
NameBDBM50501944
Synonyms:CHEMBL4464994
TypeSmall organic molecule
Emp. Form.C30H39FN6O7S
Mol. Mass.646.73
SMILESCN[C@@H](C)C(=O)N[C@@H](CCCNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: