Reaction Details | |||
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Target | Squalene synthase | ||
Ligand | BDBM50291318 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_202267 | ||
Ki | >250±n/a nM | ||
Citation | Brown, GR; Foubister, AJ; Freeman, S; McTaggart, F; Mirrlees, DJ; Reid, AC; Smith, GJ; Taylor, MJ; Thomason, DA; Whittamore, PR Novel optimised quinuclidine squalene synthase inhibitors Bioorg Med Chem Lett7:597-600 (1997) Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Squalene synthase | |||
Name: | Squalene synthase | ||
Synonyms: | FDFT_RAT | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | Fdft1 | SQS | SS | Squalene synthetase | ||
Type: | PROTEIN | ||
Mol. Mass.: | 48109.41 | ||
Organism: | Rattus norvegicus | ||
Description: | ChEMBL_1336736 | ||
Residue: | 416 | ||
Sequence: |
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BDBM50291318 | |||
n/a | |||
Name | BDBM50291318 | ||
Synonyms: | 3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-ylethynyl)-phenyl]-propionitrile | CHEMBL158304 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H24N2O | ||
Mol. Mass. | 320.4281 | ||
SMILES | OC1(CN2CCC1CC2)C#Cc1ccc(CCC#N)cc1CC=C |THB:9:1:5.4:7.8,0:1:5.4:7.8,(7.67,-7.29,;6.19,-6.88,;6.4,-8.42,;4.96,-7.64,;3.26,-8.25,;3.14,-6.75,;4.78,-6.15,;4.96,-4.38,;5.37,-5.61,;7.45,-6.01,;8.78,-5.24,;10.12,-4.46,;11.45,-5.23,;12.77,-4.46,;12.77,-2.91,;14.1,-2.13,;15.44,-2.91,;16.76,-2.12,;18.1,-1.35,;11.43,-2.15,;10.09,-2.93,;8.77,-2.17,;7.44,-2.94,;6.1,-2.18,)| | ||
Structure |