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Target
E3 ubiquitin-protein ligase XIAP [124-240]
Ligand
BDBM242581
Substrate
n/a
Meas. Tech.
TR-FRET Assay for BIR2 and BIR3
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
324±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:
BDBM242581
Synonyms:
(2S)-N-[5-(1-adamantylmethyl)-1-[(2- methoxynaphthalen-1-yl)methyl]-2,4- dioxo-1,5-benzodiazepin-3-yl]-2- (methylamino)butanamide | US10053431, 113
Type:
Small organic molecule
Emp. Form.:
C37H44N4O4
Mol. Mass.:
608.7697
SMILES:
CC[C@H](NC)C(=O)NC1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O |r,TLB:32:33:36:40.39.38,42:33:40:36.37.38,THB:42:37:40:33.41.34,41:33:36:40.39.38,41:39:36:33.42.34|
Structure:
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