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Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM44301
Substrate
n/a
Meas. Tech.
SAR analysis of Antagonists of XIAP-Bir3 domain of IAP-family anti-apoptotic proteins
IC50
54200±4500 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:
BDBM44301
Synonyms:
(2S)-N-[(1S)-1-(anilinocarbamoyl)-4-guanidino-butyl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butyramide;formic acid | (2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide;formic acid | (2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(phenylhydrazo)pentan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]butanamide;formic acid | (2S)-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-(2-phenylhydrazinyl)pentan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide;methanoic acid | MLS-0412063.0001 | cid_44182175
Type:
Small organic molecule
Emp. Form.:
C21H36N8O3
Mol. Mass.:
448.5623
SMILES:
[#6]-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#7]-c1ccccc1
Structure:
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