Reaction Details Report a problem with these data
Target
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)
Ligand
BDBM50241421
Substrate
n/a
Meas. Tech.
ChEMBL_1669766 (CHEMBL4019654)
IC50
4.7±n/a nM
Citation
 Ni, S; Wei, H; Li, B; Chen, F; Liu, Y; Chen, W; Xu, Y; Qiu, X; Li, X; Lu, Y; Liu, W; Hu, L; Lin, D; Wang, M; Zheng, X; Mao, F; Zhu, J; Lan, L; Li, J Novel Inhibitors of Staphyloxanthin Virulence Factor in Comparison with Linezolid and Vancomycin versus Methicillin-Resistant, Linezolid-Resistant, and Vancomycin-Intermediate Staphylococcus aureus Infections in Vivo. J Med Chem 60:8145-8159 (2017) [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:
BDBM50241421
Synonyms:
CHEMBL4065307
Type:
Small organic molecule
Emp. Form.:
C21H22ClF4NO
Mol. Mass.:
415.852
SMILES:
Cl.CN(C\C=C\c1ccc(cc1F)C(F)(F)F)Cc1ccc2CCCOc2c1
Structure:
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