Reaction Details  Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM50441820
Substrate
n/a
Meas. Tech.
ChEMBL_988990 (CHEMBL2437636)
IC50
39300±n/a nM
Citation
 Kester, RF; Donnell, AF; Lou, Y; Remiszewski, SW; Lombardo, LJ; Chen, S; Le, NT; Lo, J; Moliterni, JA; Han, X; Hogg, JH; Liang, W; Michoud, C; Rupert, KC; Mischke, S; Le, K; Weisel, M; Janson, CA; Lukacs, CM; Fretland, AJ; Hong, K; Polonskaia, A; Gao, L; Li, S; Solis, DS; Aguilar, D; Tardell, C; Dvorozniak, M; Tannu, S; Lee, EC; Schutt, AD; Goggin, B Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain. J Med Chem 56:7788-803 (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:
BDBM50441820
Synonyms:
CHEMBL2436206 | US10053431, 69l
Type:
Small organic molecule
Emp. Form.:
C34H33BrN4O5
Mol. Mass.:
657.554
SMILES:
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: