Reaction Details Report a problem with these data
Target
Lanosterol synthase
Ligand
BDBM50062845
Substrate
n/a
Meas. Tech.
ChEMBL_148890 (CHEMBL758671)
IC50
>100000±n/a nM
Citation
Ceruti, M; Rocco, F; Viola, F; Balliano, G; Milla, P; Arpicco, S; Cattel, L 29-Methylidene-2,3-oxidosqualene derivatives as stereospecific mechanism-based inhibitors of liver and yeast oxidosqualene cyclase. J Med Chem 41:540-54 (1998) [PubMed] Article
More Info.:
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:
BDBM50062845
Synonyms:
2,2-Dimethyl-3-(3,7,12,20-tetramethyl-16-vinyl-henicosa-3,7,11,19-tetraenyl)-oxirane | CHEMBL152272
Type:
Small organic molecule
Emp. Form.:
C31H52O
Mol. Mass.:
440.744
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6]-[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6])-[#6]=[#6]