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Target
Squalene synthase
Ligand
BDBM50051868
Substrate
n/a
Meas. Tech.
ChEMBL_202107 (CHEMBL814216)
IC50
395±n/a nM
Citation
 Procopiou, PA; Cox, B; Kirk, BE; Lester, MG; McCarthy, AD; Sareen, M; Sharratt, PJ; Snowden, MA; Spooner, SJ; Watson, NS; Widdowson, J The squalestatins: inhibitors of squalene synthase. Enzyme inhibitory activities and in vivo evaluation of C3-modified analogues. J Med Chem 39:1413-22 (1996) [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:
BDBM50051868
Synonyms:
(1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-4,6,7-trihydroxy-3-(1-hydroxy-vinyl)-2,8-dioxa-bicyclo[3.2.1]octane-4,5-dicarboxylic acid | (1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-4,6,7-trihydroxy-3-hydroxymethyl-2,8-dioxa-bicyclo[3.2.1]octane-4,5-dicarboxylic acid | CHEMBL282341
Type:
Small organic molecule
Emp. Form.:
C25H32O12
Mol. Mass.:
524.5144
SMILES:
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@@H](CO)O2)C(O)=O
Structure:
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