Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetX-linked inhibitor of apoptosis protein (XIAP)
LigandBDBM44346
Substrate/Competitorn/a
Meas. Tech.ChEMBL_971509
Ki 1940±n/a nM
Citation Ardecky, RJWelsh, KFinlay, DLee, PSGonzález-López, MGanji, SRRavanan, PMace, PDRiedl, SJVuori, KReed, JCCosford, ND Design, synthesis and evaluation of inhibitor of apoptosis protein (IAP) antagonists that are highly selective for the BIR2 domain of XIAP. Bioorg Med Chem Lett23:4253-7 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
X-linked inhibitor of apoptosis protein (XIAP)
Name:X-linked inhibitor of apoptosis protein (XIAP)
Synonyms:E3 ubiquitin-protein ligase XIAP | Inhibitor of apoptosis protein 3 | Inhibitor of apoptosis protein 3 (XIAP) | X-linked inhibitor of apoptosis
Type:Protein
Mol. Mass.:56685.27
Organism:Homo sapiens (Human)
Description:P98170
Residue:497
Sequence:
MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDT
VRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENY
LGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLT
PRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSE
SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKC
FHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTP
SLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKD
SMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDK
CPMCYTVITFKQKIFMS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM44346
NameBDBM44346
Synonyms:CHEMBL1617821 | MLS-0412198.0001 | benzyl N-[(4S)-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-5-(naphthalen-1-ylamino)-5-oxopentyl]carbamate;formic acid | cid_44229022 | formic acid;N-[(4S)-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]amino]-5-(1-naphthalenylamino)-5-oxopentyl]carbamic acid (phenylmethyl) ester | formic acid;N-[(4S)-5-keto-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-5-(1-naphthylamino)pentyl]carbamic acid benzyl ester | methanoic acid;(phenylmethyl) N-[(4S)-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-5-(naphthalen-1-ylamino)-5-oxidanylidene-pentyl]carbamate
TypeSmall organic molecule
Emp. Form.C32H41N5O5
Mol. Mass.575.6984
SMILESCN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a