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Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM50145770
Substrate
n/a
Meas. Tech.
ChEMBL_38682 (CHEMBL856031)
Kd
20±n/a nM
Citation
 Nikolovska-Coleska, Z; Xu, L; Hu, Z; Tomita, Y; Li, P; Roller, PP; Wang, R; Fang, X; Guo, R; Zhang, M; Lippman, ME; Yang, D; Wang, S Discovery of embelin as a cell-permeable, small-molecular weight inhibitor of XIAP through structure-based computational screening of a traditional herbal medicine three-dimensional structure database. J Med Chem 47:2430-40 (2004) [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:
BDBM50145770
Synonyms:
6-Amino-2-[(S)-2-((S)-2-{(S)-2-[((R)-{1-[(S)-2-((S)-2-amino-propionylamino)-5-guanidino-1-oxo-pentyl]-pyrrolidin-2-yl}-oxo-methyl)-amino]-1-oxo-3-phenyl-propylamino}-1-oxo-propylamino)-4-carbamoyl-1-oxo-butylamino]-hexanoic acid | CHEMBL310987
Type:
Small organic molecule
Emp. Form.:
C37H60N12O9
Mol. Mass.:
816.9473
SMILES:
C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O
Structure:
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