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Target
Squalene synthase
Ligand
BDBM50038096
Substrate
n/a
Meas. Tech.
ChEBML_202262
Ki
0.078±n/a nM
Citation
 Chiang, YP; Biftu, T; Doss, GA; Plevyak, SP; Marquis, RW; Bergstrom, JD; Kurtz, MM; Rew, DJ; Berger, GD Diesters of zaragozic acid A: Synthesis and biological activity Bioorg Med Chem Lett 3:2029-2034 (1993)    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:
BDBM50038096
Synonyms:
(6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-((E)-(4S,6S)-4,6-dimethyl-oct-2-enoyloxy)-4,7-dihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid | (R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-((E)-(4S,6S)-4,6-dimethyl-oct-2-enoyloxy)-4,7-dihydrxxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid | 7-[3,5-dimethyl-(E,3S,5S)-1-heptenylcarbonyloxy]-2,6-dihydroxy-5-{3-[2-methyl-1-methylcarbonyloxy-3-phenyl-(1S,2R)-propyl]-3-butenyl}-(6R,7R)-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid | CHEMBL40991 | L-694599
Type:
Small organic molecule
Emp. Form.:
C35H46O14
Mol. Mass.:
690.7313
SMILES:
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
Structure:
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