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Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM44359
Substrate
n/a
Meas. Tech.
ChEMBL_971509 (CHEMBL2406571)
Ki
3780±n/a nM
Citation
 Ardecky, RJ; Welsh, K; Finlay, D; Lee, PS; González-López, M; Ganji, SR; Ravanan, P; Mace, PD; Riedl, SJ; Vuori, K; Reed, JC; Cosford, 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 Lett 23:4253-7 (2013) [PubMed]  Article 
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:
BDBM44359
Synonyms:
(2S)-2-[[(2S)-2-amino-1-oxobutyl]amino]-3-methyl-N-[(2S)-1-(1-naphthalenylamino)-1-oxopropan-2-yl]butanamide;formic acid | (2S)-2-[[(2S)-2-aminobutanoyl]amino]-3-methyl-N-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]butanamide;formic acid | (2S)-2-[[(2S)-2-aminobutanoyl]amino]-N-[(1S)-2-keto-1-methyl-2-(1-naphthylamino)ethyl]-3-methyl-butyramide;formic acid | (2S)-2-[[(2S)-2-azanylbutanoyl]amino]-3-methyl-N-[(2S)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]butanamide;methanoic acid | CHEMBL1624542 | MLS-0425614.0001 | cid_44229048
Type:
Small organic molecule
Emp. Form.:
C22H30N4O3
Mol. Mass.:
398.4986
SMILES:
CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12
Structure:
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