Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [241-356]
Ligand
BDBM412170
Substrate
n/a
Meas. Tech.
TR-FRET Assays for XIAP BIR3
IC50
108±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:
BDBM412170
Synonyms:
(3R)-N-[2-[[(3S)-3-[(2,6- difluorophenyl)carbamoyl]- 2-[(2S)-2-[[(2S)-2- (methylamino)propanoyl] amino]-2-(oxan-4-yl)acetyl]- 1,3-dihydroisoindo1-5- yl]amino]-2-oxoethyl]-6-[(4- fluorophenyl)methyl]-3- methyl-1-[2-[(2R,5R)-5- methyl-2-[[(3R)-3- methylmorpholin-4- yl]methyl]piperazin-1- yl]acetyl]-2H-indole-3- carboxamide;trihydrochloride | US10398702, Example 9
Type:
Small organic molecule
Emp. Form.:
C58H71F3N10O8
Mol. Mass.:
1093.2417
SMILES:
CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)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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