Reaction Details |
| Report a problem with these data |
Target | Lanosterol synthase |
---|
Ligand | BDBM50130786 |
---|
Substrate/Competitor | 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 Chem50:5039-42 (2007) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Lanosterol synthase |
---|
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: | MTEGTCLRRRGGPYKTEPATDLGRWRLNCERGRQTWTYLQDERAGREQTGLEAYALGLDT
KNYFKDLPKAHTAFEGALNGMTFYVGLQAEDGHWTGDYGGPLFLLPGLLITCHVARIPLP
AGYREEIVRYLRSVQLPDGGWGLHIEDKSTVFGTALNYVSLRILGVGPDDPDLVRARNIL
HKKGGAVAIPSWGKFWLAVLNVYSWEGLNTLFPEMWLFPDWAPAHPSTLWCHCRQVYLPM
SYCYAVRLSAAEDPLVQSLRQELYVEDFASIDWLAQRNNVAPDELYTPHSWLLRVVYALL
NLYEHHHSAHLRQRAVQKLYEHIVADDRFTKSISIGPISKTINMLVRWYVDGPASTAFQE
HVSRIPDYLWMGLDGMKMQGTNGSQIWDTAFAIQALLEAGGHHRPEFSSCLQKAHEFLRL
SQVPDNPPDYQKYYRQMRKGGFSFSTLDCGWIVSDCTAEALKAVLLLQEKCPHVTEHIPR
ERLCDAVAVLLNMRNPDGGFATYETKRGGHLLELLNPSEVFGDIMIDYTYVECTSAVMQA
LKYFHKRFPEHRAAEIRETLTQGLEFCRRQQRADGSWEGSWGVCFTYGTWFGLEAFACMG
QTYRDGTACAEVSRACDFLLSRQMADGGWGEDFESCEERRYLQSAQSQIHNTCWAMMGLM
AVRHPDIEAQERGVRCLLEKQLPNGDWPQENIAGVFNKSCAISYTSYRNIFPIWALGRFS
QLYPERALAGHP
|
|
|
BDBM50130786 |
---|
n/a |
---|
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 |
|