Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [241-356]
Ligand
BDBM412179
Substrate
n/a
Meas. Tech.
TR-FRET Assays for XIAP BIR3
IC50
11.0±n/a nM
Citation
 Flohr, A; Galley, G; Norcross, R; Zorn, N Dimeric compounds US Patent  US10398702 Publication Date 9/3/2019 
Target
Name:
E3 ubiquitin-protein ligase XIAP [241-356]
Synonyms:
API3 | BIR3 (aa 241-356) | BIR3 domain | BIRC4 | IAP3 | XIAP | XIAP Bir3 | XIAP_HUMAN | amino acids 241-356 of XIAP
Type:
Enzyme Catalytic Domain
Mol. Mass.:
14548.06
Organism:
Homo sapiens (Human)
Description:
P98170[241-356]
Residue:
125
Sequence:
MRHHHHHHRSDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT
  
Inhibitor
Name:
BDBM412179
Synonyms:
US10398702, Example 18 | tert-Butyl (2R,5S)-4-[2-[(3S)-3-[(4-benzyloxy-4-oxo-butyl)carbamoyl]-6-[(4-fluorophenyl)methyl]-3-methyl-indolin-1-yl]-2-oxo-ethyl]-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C60H75F3N10O8
Mol. Mass.:
1121.2949
SMILES:
CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CCCNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r|
Structure:
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