Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP [241-356]
Ligand
BDBM242601
Substrate
n/a
Meas. Tech.
TR-FRET Assay for BIR2 and BIR3
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
18740±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 [241-356]
Synonyms:
API3 | BIR3 (aa 241-356) | BIR3 domain | BIRC4 | IAP3 | XIAP | XIAP Bir3 | XIAP_HUMAN | amino acids 241-356 of XIAP
Type:
Enzyme Catalytic Domain
Mol. Mass.:
14548.06
Organism:
Homo sapiens (Human)
Description:
P98170[241-356]
Residue:
125
Sequence:
MRHHHHHHRSDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT
  
Inhibitor
Name:
BDBM242601
Synonyms:
(S)-N-((S)-5-(4-aminobenzoyl)-1-((5- bromo-2-methoxynaphthalen-1- yl)methyl)-7-chloro-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride | US10053431, 123
Type:
Small organic molecule
Emp. Form.:
C32H31BrClN5O4
Mol. Mass.:
664.977
SMILES:
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O |r|
Structure:
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