Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [124-240]
Ligand
BDBM243125
Substrate
n/a
Meas. Tech.
TR-FRET Assay for BIR2 and BIR3
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
9.00±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 [124-240]
Synonyms:
6x Histidine-tagged BIR2 domain | API3 | BIR2 (aa 124-240) | BIRC4 | E3 ubiquitin-protein ligase (XIAP-BIR2)(C202A/C213G) | IAP3 | XIAP | XIAP Bir2 | XIAP_HUMAN | amino acids 124-240 of XIAP
Type:
Enzyme Catalytic Domain
Mol. Mass.:
13562.46
Organism:
Homo sapiens (Human)
Description:
P98170[124-240]
Residue:
117
Sequence:
RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE
  
Inhibitor
Name:
BDBM243125
Synonyms:
(S)-N-[(S)-1-(5-Bromo-2-methoxy-naphthalen-1-ylmethyl)-5-(4-fluoro-benzoyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide hydrochloride | US10053431, 92
Type:
Small organic molecule
Emp. Form.:
C32H30BrFN4O4
Mol. Mass.:
633.507
SMILES:
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: