Reaction Details Report a problem with these data
Target
Lanosterol synthase
Ligand
BDBM50130786
Substrate
n/a
Meas. Tech.
ChEMBL_446074 (CHEMBL895169)
IC50
6.2±n/a nM
Citation
 Caron, G; Ermondi, G Influence of conformation on GRIND-based three-dimensional quantitative structure-activity relationship (3D-QSAR). J Med Chem 50:5039-42 (2007) [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:
BDBM50130786
Synonyms:
CHEMBL115923 | CHEMBL611486 | {4-[6-(Allyl-methyl-amino)-hexyloxy]-2-methylsulfanyl-phenyl}-(4-bromo-phenyl)-methanone; fumarate
Type:
Small organic molecule
Emp. Form.:
C24H30BrNO2S
Mol. Mass.:
476.47
SMILES:
CSc1cc(OCCCCCCN(C)CC=C)ccc1C(=O)c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: