Reaction Details Report a problem with these data
Target
Lanosterol synthase
Ligand
BDBM50128047
Substrate
n/a
Meas. Tech.
ChEMBL_446074 (CHEMBL895169)
IC50
1862±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:
BDBM50128047
Synonyms:
(E)-N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)phenoxy)-N-methylbut-2-en-1-aminium | Allyl-{4-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phenoxy]-but-2-enyl}-methyl-amine | CHEMBL63630 | N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)phenoxy)-N-methylbut-2-en-1-aminium
Type:
Small organic molecule
Emp. Form.:
C21H21BrN2OS
Mol. Mass.:
429.373
SMILES:
CN(CC=C)C\C=C\COc1ccc(cc1)-c1nsc2cc(Br)ccc12
Structure:
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