Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [241-356]
Ligand
BDBM412173
Substrate
n/a
Meas. Tech.
TR-FRET Assays for XIAP BIR3
IC50
17.0±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:
BDBM412173
Synonyms:
(R)-N-((S)-3-((2,6- difluorophenyl)carbamoyl)- 2-((S)-2-((S)-2- (methylamino)propanamido)- 2-(tetrahydro-2H-pyran-4- yl)acetyl)isoindolin-5-yl)-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 12
Type:
Small organic molecule
Emp. Form.:
C56H68F3N9O7
Mol. Mass.:
1036.1904
SMILES:
CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=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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