Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM44300
Substrate
n/a
Meas. Tech.
SAR analysis of Antagonists of XIAP-Bir3 domain of IAP-family anti-apoptotic proteins
IC50
97700±27000 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:
BDBM44300
Synonyms:
MLS-0412061.0001 | cid_44182173 | formic acid;(2S)-2-(methylamino)-N-[(3S)-2-oxo-1-[2-oxo-2-(2-phenylhydrazinyl)ethyl]azepan-3-yl]propanamide | formic acid;(2S)-2-(methylamino)-N-[(3S)-2-oxo-1-[2-oxo-2-(phenylhydrazo)ethyl]-3-azepanyl]propanamide | formic acid;(2S)-N-[(3S)-2-keto-1-[2-keto-2-(N'-phenylhydrazino)ethyl]azepan-3-yl]-2-(methylamino)propionamide | methanoic acid;(2S)-2-(methylamino)-N-[(3S)-2-oxidanylidene-1-[2-oxidanylidene-2-(2-phenylhydrazinyl)ethyl]azepan-3-yl]propanamide
Type:
Small organic molecule
Emp. Form.:
C18H27N5O3
Mol. Mass.:
361.4387
SMILES:
CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NNc2ccccc2)C1=O
Structure:
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