Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [124-240]
Ligand
BDBM241698
Substrate
n/a
Meas. Tech.
TR-FRET Assay for BIR2 and BIR3
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
121±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:
BDBM241698
Synonyms:
(2S)-N-[(3S)-1-(4-acetylbenzoyl)-5-[2- (1,3-benzothiazol-2-ylamino)-2- oxoethyl]-4-oxo-2,3-dihydro-1,5- benzodiazepin-3-yl]-2- (methylamino)propanamide;2,2,2- trifluoroacctic acid | US10053431, 109
Type:
Small organic molecule
Emp. Form.:
C31H30N6O5S
Mol. Mass.:
598.672
SMILES:
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(CC(=O)Nc2nc3ccccc3s2)C1=O |r|
Structure:
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