Reaction Details |
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Target | Lanosterol synthase |
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Ligand | BDBM50128063 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_446074 (CHEMBL895169) |
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IC50 | 2.9±n/a nM |
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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 |
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More Info.: | Get all data from this article, Assay Method |
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Lanosterol synthase |
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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
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BDBM50128063 |
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n/a |
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Name | BDBM50128063 |
Synonyms: | Allyl-{6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yloxy]-hexyl}-methyl-amine | CHEMBL112210 | CHEMBL67133 | N-(6-{[3-(4-BROMOPHENYL)-1,2-BENZISOTHIAZOL-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE | N-allyl-6-(3-(4-bromophenyl)benzo[d]isothiazol-6-yloxy)-N-methylhexan-1-aminium |
Type | Small organic molecule |
Emp. Form. | C23H27BrN2OS |
Mol. Mass. | 459.442 |
SMILES | CN(CCCCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C |
Structure |
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