Ki Summary

Reaction Details

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Target

Squalene synthase

Ligand

BDBM50291315

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_202267

8±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:

Type:

PROTEIN

Mol. Mass.:

48109.41

Organism:

Rattus norvegicus

Description:

ChEMBL_1336736

Residue:

416

Sequence:

MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQA
LDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRV
VLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVG
IGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYV
KKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATL
AACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAK
QLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH

BDBM50291315

n/a

Name

BDBM50291315

Synonyms:

5-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-ylethynyl)-phenyl]-pentanoic acid methyl ester | CHEMBL349538

Type

Small organic molecule

Emp. Form.

C24H31NO3

Mol. Mass.

381.5078

SMILES

COC(=O)CCCCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:13:14:19.18:21.22,15:14:19.18:21.22,(22.09,-2.1,;20.76,-2.86,;19.42,-2.1,;19.42,-.56,;18.08,-2.89,;16.75,-2.12,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.23,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.63,;3.26,-8.24,;3.14,-6.74,;4.77,-6.14,;4.96,-4.38,;5.36,-5.6,;10.08,-2.93,;8.76,-2.17,;7.43,-2.94,;6.09,-2.18,;11.42,-2.15,)|

Structure