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Target
Squalene synthase
Ligand
BDBM50033197
Substrate
n/a
Meas. Tech.
ChEMBL_202122 (CHEMBL808979)
IC50
220±n/a nM
Citation
 Bamford, MJ; Chan, C; Craven, AP; Dymock, BW; Green, D; Henson, RA; Kirk, BE; Lester, MG; Procopiou, PA; Snowden, MA The squalestatins: synthesis and biological activity of some C3-modified analogues; replacement of a carboxylic acid or methyl ester with an isoelectronic heterocyclic functionality. J Med Chem 38:3502-13 (1995) [PubMed]  Article 
Target
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:
MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH
  
Inhibitor
Name:
BDBM50033197
Synonyms:
(1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3-methylene-6-phenyl-hexyl)-4,6,7-trihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid 3-methyl ester | CHEMBL116727
Type:
Small organic molecule
Emp. Form.:
C26H32O12
Mol. Mass.:
536.5251
SMILES:
COC(=O)[C@H]1O[C@@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@]1(O)C(O)=O |TLB:29:28:24:33.4.5,2:4:24:26.28,THB:27:26:24:33.4.5,35:33:24:26.28,34:33:24:26.28|
Structure:
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