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Target
Squalene synthase
Ligand
BDBM50338919
Substrate
n/a
Meas. Tech.
ChEMBL_727292 (CHEMBL1687386)
IC50
1.3±n/a nM
Citation
 Ichikawa, M; Yokomizo, A; Itoh, M; Sugita, K; Usui, H; Shimizu, H; Suzuki, M; Terayama, K; Kanda, A Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors. Bioorg Med Chem 19:1930-49 (2011) [PubMed]  Article 
Target
Name:
Squalene synthase
Synonyms:
FDFT1 | FDFT_HUMAN | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | SQS | SS | Squalene synthetase
Type:
PROTEIN
Mol. Mass.:
48114.76
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1352847
Residue:
417
Sequence:
MEFVKCLGHPEEFYNLVRFRIGGKRKVMPKMDQDSLSSSLKTCYKYLNQTSRSFAAVIQALDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQVLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVGIGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYVKKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTRQIISTIRTQNLPNCQLISRSHYSPIYLSFVMLLAALSWQYLTTLSQVTEDYVQTGEH
  
Inhibitor
Name:
BDBM50338919
Synonyms:
1-{3-[{4-Chloro-2-[(2,3-dimethoxyphenyl)hydroxymethyl]phenyl}-(2,2-dimethylpropyl)carbamoyl]propionyl}-piperidine-3-carboxylic acid ethyl ester | CHEMBL1685008
Type:
Small organic molecule
Emp. Form.:
C32H43ClN2O7
Mol. Mass.:
603.146
SMILES:
CCOC(=O)C1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1cccc(OC)c1OC
Structure:
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