Reaction Details Report a problem with these data
Target
Lanosterol synthase
Ligand
BDBM50130776
Substrate
n/a
Meas. Tech.
ChEMBL_446074 (CHEMBL895169)
IC50
11±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:
BDBM50130776
Synonyms:
Allyl-{6-[4-(4-bromo-phenyl)-2H-chromen-7-yloxy]-hexyl}-methyl-amine | CHEMBL115884 | N-allyl-6-(4-(4-bromophenyl)-2H-chromen-7-yloxy)-N-methylhexan-1-aminium
Type:
Small organic molecule
Emp. Form.:
C25H30BrNO2
Mol. Mass.:
456.415
SMILES:
CN(CCCCCCOc1ccc2C(=CCOc2c1)c1ccc(Br)cc1)CC=C |c:13|
Structure:
Search PDB for entries with ligand similarity: