Reaction Details Report a problem with these data
Target
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)
Ligand
BDBM50187723
Substrate
n/a
Meas. Tech.
ChEMBL_1784291 (CHEMBL4255808)
IC50
7.7±n/a nM
Citation
 Ni, S; Li, B; Chen, F; Wei, H; Mao, F; Liu, Y; Xu, Y; Qiu, X; Li, X; Liu, W; Hu, L; Ling, D; Wang, M; Zheng, X; Zhu, J; Lan, L; Li, J Novel Staphyloxanthin Inhibitors with Improved Potency against Multidrug Resistant  ACS Med Chem Lett 9:233-237 (2018) [PubMed]  Article 
Target
Name:
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)
Synonyms:
1.3.8.- | CRTN_STAAW | Dehydrosqualene desaturase | crtN
Type:
PROTEIN
Mol. Mass.:
56702.79
Organism:
Staphylococcus aureus (strain MW2)
Description:
ChEMBL_116914
Residue:
502
Sequence:
MKIAVIGAGVTGLAAAARIASQGHEVTIFEKNNNVGGRMNQLKKDGFTFDMGPTIVMMPDVYKDVFTACGKNYEDYIELRQLRYIYDVYFDHDDRITVPTDLAELQQMLESIEPGSTHGFMSFLTDVYKKYEIARRYFLERTYRKPSDFYNMTSLVQGAKLKTLNHADQLIEHYIDNEKIQKLLAFQTLYIGIDPKRGPSLYSIIPMIEMMFGVHFIKGGMYGMAQGLAQLNKDLGVNIELNAEIEQIIIDPKFKRADAIKVNGDIRKFDKILCTADFPSVAESLMPDFAPIKKYPPHKIADLDYSCSAFLMYIGIDIDVTDQVRLHNVIFSDDFRGNIEEIFEGRLSYDPSIYVYVPAVADKSLAPEGKTGIYVLMPTPELKTGSGIDWSDEALTQQIKEIIYRKLATIEVFEDIKSHIVSETIFTPNDFEQTYHAKFGSAFGLMPTLAQSNYYRPQNVSRDYKDLYFAGASTHPGAGVPIVLTSAKITVDEMIKDIEQGV
  
Inhibitor
Name:
BDBM50187723
Synonyms:
CHEMBL3827961
Type:
Small organic molecule
Emp. Form.:
C23H30ClNO
Mol. Mass.:
371.943
SMILES:
Cl.COc1ccc(\C=C\CN(C)Cc2ccc3CCCCCc3c2)cc1
Structure:
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