Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM44352
Substrate
n/a
Meas. Tech.
SAR analysis of Antagonists of IAP-family anti-apoptotic proteins
IC50
43500±8100 nM
Citation
 PubChem, PC SAR analysis of Antagonists 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:
BDBM44352
Synonyms:
(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-N-(1-naphthalenyl)-2-pyrrolidinecarboxamide;formic acid | (2S)-1-[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-N-(1-naphthyl)pyrrolidine-2-carboxamide;formic acid | (2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]-N-naphthalen-1-ylpyrrolidine-2-carboxamide;formic acid | (2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-N-naphthalen-1-yl-pyrrolidine-2-carboxamide;methanoic acid | MLS-0425208.0001 | cid_44229034
Type:
Small organic molecule
Emp. Form.:
C25H34N4O3
Mol. Mass.:
438.5625
SMILES:
CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12
Structure:
Search PDB for entries with ligand similarity: