Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G]
Ligand
BDBM242818
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
7.5±n/a
Temperature
310.15±n/a K
IC50
125±n/a nM
Comments
extracted
Citation
 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S 2-oxo-2,3,4,5-tetrahydro-1 H-benzo[B]diazepines and their use in the treatment of cancer US Patent  US9422331 Publication Date 8/23/2016 
Target
Name:
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G]
Synonyms:
API3 | BIRC4 | E3 ubiquitin-protein ligase XIAP (BIR2) | IAP3 | XIAP | XIAP_HUMAN
Type:
Enzyme
Mol. Mass.:
14676.71
Organism:
Artificial Organism
Description:
P98170[124-214,C202A,C213G]
Residue:
125
Sequence:
MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE
  
Inhibitor
Name:
BDBM242818
Synonyms:
US9422331, 43
Type:
Small organic molecule
Emp. Form.:
C25H31ClN4O6S
Mol. Mass.:
551.055
SMILES:
CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2cc(Cl)ccc2OC)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: