Reaction Details Report a problem with these data
Target
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)
Ligand
BDBM50465164
Substrate
n/a
Meas. Tech.
ChEMBL_1784290 (CHEMBL4255807)
IC50
6.5±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:
BDBM50465164
Synonyms:
CHEMBL4288408
Type:
Small organic molecule
Emp. Form.:
C22H23ClF3NO2
Mol. Mass.:
425.872
SMILES:
Cl.CN(C\C=C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Structure:
Search PDB for entries with ligand similarity: