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Target
Squalene synthase
Ligand
BDBM50033182
Substrate
n/a
Meas. Tech.
ChEMBL_202122 (CHEMBL808979)
IC50
172±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:
BDBM50033182
Synonyms:
(1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3-methylene-6-phenyl-hexyl)-6-((E)-(4S,6S)-4,6-dimethyl-oct-2-enoyloxy)-4,7-dihydroxy-3-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-2,8-dioxa-bicyclo[3.2.1]octane-4,5-dicarboxylic acid | CHEMBL334033
Type:
Small organic molecule
Emp. Form.:
C37H49N3O11S
Mol. Mass.:
743.863
SMILES:
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1n[nH]c(=S)n1C)C(O)=O |TLB:14:13:33:38.40.41,39:38:33:12.13,49:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41|
Structure:
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