Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM44353
Substrate
n/a
Meas. Tech.
ChEMBL_971508 (CHEMBL2406570)
Ki
21480±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:
BDBM44353
Synonyms:
(2S)-N-[(1S)-5-amino-1-(anilinocarbamoyl)pentyl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butyramide;formic acid | (2S)-N-[(2S)-6-amino-1-oxo-1-(2-phenylhydrazinyl)hexan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide;formic acid | (2S)-N-[(2S)-6-amino-1-oxo-1-(phenylhydrazo)hexan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]butanamide;formic acid | (2S)-N-[(2S)-6-azanyl-1-oxidanylidene-1-(2-phenylhydrazinyl)hexan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide;methanoic acid | CHEMBL1622095 | MLS-0425209.0001 | cid_44229036
Type:
Small organic molecule
Emp. Form.:
C21H36N6O3
Mol. Mass.:
420.5489
SMILES:
CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NNc1ccccc1
Structure:
Search PDB for entries with ligand similarity: