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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Squalene synthase | ||
| Ligand | BDBM50208574 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_474592 (CHEMBL952868) | ||
| IC50 | 1.5±n/a nM | ||
| Citation |  Sealey-Cardona, M; Cammerer, S; Jones, S; Ruiz-Pérez, LM; Brun, R; Gilbert, IH; Urbina, JA; González-Pacanowska, D Kinetic characterization of squalene synthase from Trypanosoma cruzi: selective inhibition by quinuclidine derivatives. Antimicrob Agents Chemother51:2123-9 (2007) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Squalene synthase | |||
| Name: | Squalene synthase | ||
| Synonyms: | FDFT1 | FDFT_HUMAN | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | SQS | SS | Squalene synthetase | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 48114.76 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_1352847 | ||
| Residue: | 417 | ||
| Sequence: |
| ||
| BDBM50208574 | |||
| n/a | |||
| Name | BDBM50208574 | ||
| Synonyms: | (R)-3-((2-benzyl-6-((3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl)pyridin-3-yl)ethynyl)quinuclidin-3-ol | (R)-3-(2-(2-benzyl-6-((3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl)pyridin-3-yl)ethynyl)quinuclidin-3-ol | CHEMBL258717 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H31N3O3 | ||
| Mol. Mass. | 433.5426 | ||
| SMILES | CO[C@H]1CN(C[C@H]1O)c1ccc(C#C[C@@]2(O)CN3CCC2CC3)c(Cc2ccccc2)n1 |r,wU:14.14,6.7,2.1,wD:14.15,(31.46,-29.1,;30.82,-27.7,;29.29,-27.55,;28.27,-28.7,;26.86,-28.09,;27.01,-26.56,;28.51,-26.22,;29.12,-24.81,;25.53,-28.87,;25.54,-30.41,;24.21,-31.19,;22.88,-30.42,;21.55,-31.2,;20.23,-31.98,;18.9,-32.75,;18.88,-31.21,;18.9,-34.3,;17.56,-35.07,;16.22,-34.3,;16.22,-32.75,;17.56,-31.97,;16.82,-33.33,;18.31,-33.74,;22.86,-28.9,;21.52,-28.14,;21.51,-26.6,;22.83,-25.83,;22.82,-24.29,;21.47,-23.53,;20.14,-24.32,;20.17,-25.86,;24.18,-28.11,)| | ||
| Structure | 
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