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Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM44302
Substrate
n/a
Meas. Tech.
SAR analysis of Antagonists of XIAP-Bir3 domain of IAP-family anti-apoptotic proteins
IC50
1300±300 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:
BDBM44302
Synonyms:
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;formic acid | (2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;formic acid | (2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;methanoic acid | MLS-0412065.0001 | cid_44182177 | formic acid;(2S)-5-guanidino-2-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-N-tetralin-1-yl-valeramide
Type:
Small organic molecule
Emp. Form.:
C25H41N7O3
Mol. Mass.:
487.6381
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]-[#6]-1-[#6]-[#6]-[#6]-c2ccccc-12
Structure:
Search PDB for entries with ligand similarity: