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Target
Squalene synthase
Ligand
BDBM50037291
Substrate
n/a
Meas. Tech.
ChEMBL_202098 (CHEMBL814033)
IC50
13±n/a nM
Citation
 Procopiou, PA; Bailey, EJ; Bamford, MJ; Craven, AP; Dymock, BW; Houston, JG; Hutson, JL; Kirk, BE; McCarthy, AD; Sareen, M The squalestatins: novel inhibitors of squalene synthase. Enzyme inhibitory activities and in vivo evaluation of C1-modified analogues. J Med Chem 37:3274-81 (1994) [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:
BDBM50037291
Synonyms:
(1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octanoyloxy)-1-((R)-3,5-dimethyl-6-phenyl-hexyl)-4,7-dihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid | CHEMBL111439
Type:
Small organic molecule
Emp. Form.:
C33H48O12
Mol. Mass.:
636.727
SMILES:
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
Structure:
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