Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM44323
Substrate
n/a
Meas. Tech.
ChEMBL_757199 (CHEMBL1803423)
Ki
660±n/a nM
Citation
González-López, M; Welsh, K; Finlay, D; Ardecky, RJ; Ganji, SR; Su, Y; Yuan, H; Teriete, P; Mace, PD; Riedl, SJ; Vuori, K; Reed, JC; Cosford, ND Design, synthesis and evaluation of monovalent Smac mimetics that bind to the BIR2 domain of the anti-apoptotic protein XIAP. Bioorg Med Chem Lett 21:4332-6 (2011) [PubMed] Article
More Info.:
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:
BDBM44323
Synonyms:
(2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxamide;formic acid | (2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenyl-ethanoyl]pyrrolidine-2-carboxamide;methanoic acid | (2S)-N-benzhydryl-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenyl-acetyl]pyrrolidine-2-carboxamide;formic acid | (2S)-N-benzhydryl-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]pyrrolidine-2-carboxamide;formic acid | CHEMBL1616828 | MLS-0390869.0002 | cid_44182233
Type:
Small organic molecule
Emp. Form.:
C30H34N4O3
Mol. Mass.:
498.616
SMILES:
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1