Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [241-356]
Ligand
BDBM412181
Substrate
n/a
Meas. Tech.
TR-FRET Assays for XIAP BIR3
IC50
5.00±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:
BDBM412181
Synonyms:
(S)-N-(2-(((S)-3-((2,6- difluorophenyl)carbamoyl)- 2-((2S,3R)-3-methoxy-2- ((S)-2- (methylamino)propanamido) butanoyl)isoindolin-5- yl)amino)-2-oxoethyl)-6-(4- fluorobenzyl)-3-methyl-1-(2- ((2R,5R)-5-methyl-2-(((R)- 3-methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxamide trihydrochloride | US10398702, Example 20
Type:
Small organic molecule
Emp. Form.:
C56H69F3N10O8
Mol. Mass.:
1067.2045
SMILES:
CN[C@@H](C)C(=O)N[C@@H]([C@@H](C)OC)C(=O)N1Cc2ccc(NC(=O)CNC(=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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