Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM17347
Substrate
n/a
Meas. Tech.
ChEMBL_718816 (CHEMBL1681198)
Ki
270±n/a nM
Citation
 Monfardini, I; Huang, JW; Beck, B; Cellitti, JF; Pellecchia, M; Dömling, A Screening multicomponent reactions for X-linked inhibitor of apoptosis-baculoviral inhibitor of apoptosis protein repeats domain binder. J Med Chem 54:890-900 (2012) [PubMed]  Article 
Target
Name:
E3 ubiquitin-protein ligase XIAP
Synonyms:
Inhibitor of apoptosis protein 3 | Inhibitor of apoptosis protein 3 (XIAP) | E3 ubiquitin-protein ligase XIAP | X-linked inhibitor of apoptosis | XIAP_HUMAN | XIAP | API3 | BIRC4 | IAP3 | X-linked inhibitor of apoptosis protein (XIAP)
Type:
Protein
Mol. Mass.:
56685.27
Organism:
Human
Description:
P98170
Residue:
497
Sequence:
MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDTVRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENYLGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSESDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTPSLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKDSMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDKCPMCYTVITFKQKIFMS
  
Inhibitor
Name:
BDBM17347
Synonyms:
(3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydroazepino[2,1-b][1,3]thiazole-3-carboxamide | peptide isostere, 10
Type:
Small organic molecule
Emp. Form.:
C23H30N6O3S
Mol. Mass.:
470.21
SMILES:
[H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@@H](CS2)C(=O)Nc1cc(C)nn1-c1ccccc1 |r|
Structure:
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