Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM44259
Substrate
n/a
Meas. Tech.
SAR analysis of Antagonists of XIAP-Bir3 domain of IAP-family anti-apoptotic proteins
IC50
1700±200 nM
Citation
 PubChem, PC SAR analysis of Antagonists of XIAP-Bir3 domain of IAP-family anti-apoptotic proteins PubChem Bioassay (2009)[AID] 
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:
BDBM44259
Synonyms:
(1R)-2-[2-cyclohexyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxoethyl]-N-(diphenylmethyl)-1-cyclopentanecarboxamide;2,2,2-trifluoroacetic acid | (1R)-2-[2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]ethanoyl]-N-(diphenylmethyl)cyclopentane-1-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid | (1R)-N-benzhydryl-2-[2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid | (1R)-N-benzhydryl-2-[2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid | MLS-0390970.0001 | cid_25199555
Type:
Small organic molecule
Emp. Form.:
C31H41N3O3
Mol. Mass.:
503.6755
SMILES:
CN[C@@H](C)C(=O)NC(C1CCCCC1)C(=O)C1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Structure:
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