Reaction Details Report a problem with these data
Target
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)
Ligand
BDBM50247169
Substrate
n/a
Meas. Tech.
ChEMBL_1677512 (CHEMBL4027655)
IC50
8.0±n/a nM
Citation
 Li, B; Ni, S; Mao, F; Chen, F; Liu, Y; Wei, H; Chen, W; Zhu, J; Lan, L; Li, J Novel Terminal Bipheny-Based Diapophytoene Desaturases (CrtN) Inhibitors as Anti-MRSA/VISR/LRSA Agents with Reduced hERG Activity. J Med Chem 61:224-250 (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:
BDBM50247169
Synonyms:
CHEMBL4101749
Type:
Small organic molecule
Emp. Form.:
C25H25ClN2
Mol. Mass.:
388.932
SMILES:
Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1cccc2cc[nH]c12
Structure:
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