Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM50441337
Substrate
n/a
Meas. Tech.
ChEMBL_984067 (CHEMBL2434425)
IC50
141±n/a nM
Citation
 Donnell, AF; Michoud, C; Rupert, KC; Han, X; Aguilar, D; Frank, KB; Fretland, AJ; Gao, L; Goggin, B; Hogg, JH; Hong, K; Janson, CA; Kester, RF; Kong, N; Le, K; Li, S; Liang, W; Lombardo, LJ; Lou, Y; Lukacs, CM; Mischke, S; Moliterni, JA; Polonskaia, A; Schutt, AD; Solis, DS; Specian, A; Taylor, RT; Weisel, M; Remiszewski, SW Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain. J Med Chem 56:7772-87 (2013) [PubMed]  Article 
Target
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:
MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDTVRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENYLGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSESDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTPSLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKDSMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDKCPMCYTVITFKQKIFMS
  
Inhibitor
Name:
BDBM50441337
Synonyms:
CHEMBL2431752 | US9394263, 1r
Type:
Small organic molecule
Emp. Form.:
C28H32N4O5
Mol. Mass.:
504.5775
SMILES:
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)cnc3ccccc23)c2ccccc2OC11CCOCC1 |r|
Structure:
Search PDB for entries with ligand similarity: