Reaction Details Report a problem with these data
Target
Lanosterol synthase
Ligand
BDBM50128050
Substrate
n/a
Meas. Tech.
ChEMBL_519215 (CHEMBL946654)
IC50
5.37±n/a nM
Citation
 Ermondi, G; Caron, G GRIND-based 3D-QSAR to predict inhibitory activity for similar enzymes, OSC and SHC. Eur J Med Chem 43:1462-8 (2008) [PubMed]  Article 
Target
Name:
Lanosterol synthase
Synonyms:
2,3-epoxysqualene--lanosterol cyclase | LSS | LSS_HUMAN | OSC | Oxidosqualene--lanosterol cyclase
Type:
PROTEIN
Mol. Mass.:
83309.32
Organism:
Homo sapiens (Human)
Description:
ChEMBL_11231
Residue:
732
Sequence:
MTEGTCLRRRGGPYKTEPATDLGRWRLNCERGRQTWTYLQDERAGREQTGLEAYALGLDTKNYFKDLPKAHTAFEGALNGMTFYVGLQAEDGHWTGDYGGPLFLLPGLLITCHVARIPLPAGYREEIVRYLRSVQLPDGGWGLHIEDKSTVFGTALNYVSLRILGVGPDDPDLVRARNILHKKGGAVAIPSWGKFWLAVLNVYSWEGLNTLFPEMWLFPDWAPAHPSTLWCHCRQVYLPMSYCYAVRLSAAEDPLVQSLRQELYVEDFASIDWLAQRNNVAPDELYTPHSWLLRVVYALLNLYEHHHSAHLRQRAVQKLYEHIVADDRFTKSISIGPISKTINMLVRWYVDGPASTAFQEHVSRIPDYLWMGLDGMKMQGTNGSQIWDTAFAIQALLEAGGHHRPEFSSCLQKAHEFLRLSQVPDNPPDYQKYYRQMRKGGFSFSTLDCGWIVSDCTAEALKAVLLLQEKCPHVTEHIPRERLCDAVAVLLNMRNPDGGFATYETKRGGHLLELLNPSEVFGDIMIDYTYVECTSAVMQALKYFHKRFPEHRAAEIRETLTQGLEFCRRQQRADGSWEGSWGVCFTYGTWFGLEAFACMGQTYRDGTACAEVSRACDFLLSRQMADGGWGEDFESCEERRYLQSAQSQIHNTCWAMMGLMAVRHPDIEAQERGVRCLLEKQLPNGDWPQENIAGVFNKSCAISYTSYRNIFPIWALGRFSQLYPERALAGHP
  
Inhibitor
Name:
BDBM50128050
Synonyms:
CHEMBL114259 | CHEMBL416694 | N-allyl-6-(4-(4-bromobenzoyl)phenoxy)-N-methylhexan-1-aminium | {4-[6-(Allyl-methyl-amino)-hexyloxy]-phenyl}-(4-bromo-phenyl)-methanone
Type:
Small organic molecule
Emp. Form.:
C23H28BrNO2
Mol. Mass.:
430.378
SMILES:
CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1)CC=C
Structure:
Search PDB for entries with ligand similarity: