Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [241-356]
Ligand
BDBM243194
Substrate
n/a
Meas. Tech.
TR-FRET Assay for BIR2 and BIR3
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
>54800±n/a nM
Comments
extracted
Citation
 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Tetrahydro-benzodiazepinones US Patent  US10053431 Publication Date 8/21/2018 
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:
BDBM243194
Synonyms:
US10053431, 91d
Type:
Small organic molecule
Emp. Form.:
C33H30BrF3N4O4
Mol. Mass.:
683.515
SMILES:
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(F)(F)F)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: