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Target
E3 ubiquitin-protein ligase XIAP [124-240]
Ligand
BDBM243136
Substrate
n/a
Meas. Tech.
TR-FRET Assay for BIR2 and BIR3
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
22.5±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:
BDBM243136
Synonyms:
(S)-N-((S)-1-((3-cyclopropylquinolin-4- yl)methyl)-5-(3- (methylsulfonyl)propanoyl)-2-oxo-7- (trifluoromethyl)-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide | US10053431, 188
Type:
Small organic molecule
Emp. Form.:
C31H34F3N5O5S
Mol. Mass.:
645.692
SMILES:
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCS(C)(=O)=O)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C(F)(F)F |r|
Structure:
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