Reaction Details Report a problem with these data
Target
Squalene synthase
Ligand
BDBM50058946
Substrate
n/a
Meas. Tech.
ChEMBL_202104 (CHEMBL814213)
IC50
130±n/a nM
Citation
 Fung, AK; Baker, WR; Fakhoury, S; Stein, HH; Cohen, J; Donner, BG; Garvey, DS; Spina, KP; Rosenberg, SH (1 alpha, 2 beta, 3 beta, 4 alpha)-1,2-bis[N-propyl-N-(4-phenoxybenzyl) amino]carbonyl]cyclobutane-3,4-dicarboxylic acid (A-87049): a novel potent squalene synthase inhibitor. J Med Chem 40:2123-5 (1997) [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:
BDBM50058946
Synonyms:
(1S,2S,3S,4S)-3,4-Bis-[pentyl-(4-phenoxy-benzyl)-carbamoyl]-cyclobutane-1,2-dicarboxylic acid | CHEMBL303235
Type:
Small organic molecule
Emp. Form.:
C44H50N2O8
Mol. Mass.:
734.8764
SMILES:
CCCCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CCCCC)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: