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Target
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)
Ligand
BDBM50177025
Substrate
n/a
Meas. Tech.
ChEMBL_1581658 (CHEMBL3817518)
IC50
684±n/a nM
Citation
 Wang, Y; Chen, F; Di, H; Xu, Y; Xiao, Q; Wang, X; Wei, H; Lu, Y; Zhang, L; Zhu, J; Sheng, C; Lan, L; Li, J Discovery of Potent Benzofuran-Derived Diapophytoene Desaturase (CrtN) Inhibitors with Enhanced Oral Bioavailability for the Treatment of Methicillin-Resistant Staphylococcus aureus (MRSA) Infections. J Med Chem 59:3215-30 (2016) [PubMed]  Article 
Target
Name:
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)
Synonyms:
4,4'-diapophytoene desaturase | CRTN_STAAE | Dehydrosqualene desaturase | Diapophytoene desaturase | crtN
Type:
PROTEIN
Mol. Mass.:
56731.85
Organism:
Staphylococcus aureus (strain Newman)
Description:
ChEMBL_116799
Residue:
502
Sequence:
MKIAVIGAGVTGLAAAARIASQGHEVTIFEKNNNVGGRMNQLKKDGFTFDMGPTIVMMPDVYKDVFTACGKNYEDYIELRQLRYIYDVYFDHDDRITVPTDLAELQQMLESIEPGSTHGFMSFLTDVYKKYEIARRYFLERTYRKPSDFYNMTSLVQGAKLKTLNHADQLIEHYIDNEKIQKLLAFQTLYIGIDPKRGPSLYSIIPMIEMMFGVHFIKGGMYGMAQGLAQLNKDLGVNIELNAEIEQIIIDPKFKRADAIKVNGDIRKFDKILCTADFPSVAESLMPDFAPIKKYPPHKIADLDYSCSAFLMYIGIDIDVTDQVRLHNVIFSDDFRGNIEEIFEGRLSYDPSIYVYVPAVADKSLAPEGKTGIYVLMPTPELKTGSGIDWSDEALTQQIKEIIYRKLATIEVFEDIKSHIVSETIFTPNDFEQTYHAKFGSAFGLMPTLAQSNYYRPQNVSRDYKDLYFAGASTHPGAGVPIVLTSAKITVDEMIKDIERGV
  
Inhibitor
Name:
BDBM50177025
Synonyms:
CHEMBL3814865
Type:
Small organic molecule
Emp. Form.:
C20H22ClNO2
Mol. Mass.:
343.847
SMILES:
Cl.COc1ccc(\C=C\CN(C)Cc2cccc3ccoc23)cc1
Structure:
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