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Target
Squalene synthase
Ligand
BDBM50076043
Substrate
n/a
Meas. Tech.
ChEBML_70138
IC50
>200000±n/a nM
Citation
 Liu, R; Dong, DL; Sherlock, R; Nestler, HP; Gennari, C; Mielgo, A; Scolastico, C Novel reverse-turn mimics inhibit farnesyl transferase. Bioorg Med Chem Lett 9:847-52 (1999) [PubMed]  Article 
Target
Name:
Squalene synthase
Synonyms:
Squalene synthetase
Type:
PROTEIN
Mol. Mass.:
48292.44
Organism:
Bos taurus
Description:
ChEMBL_70138
Residue:
417
Sequence:
MEFVKCLGHPEEFYNLLRFQMGGRRKVIPKMDQDSLSSSLKTCYKYLNQTSRSFAAVIQALDGEMRHAVCIFYLVLRALDTLEDDMTISIERKVPLLHNFHSYLYEPDWRFTESKEKDRQVLEDFPTISLEFRNLAEKYQTVIVDVCQKMGFGMAEFLDKRVTSEREWDKYCHYVAGLVGIGLSRLFSASELEDPLIGEDTERANSMGLFLQKTNIIRDYLEDQREGREFWPQETWSKYVKKLGDFAKPENIDLAVQCLNELITNTLHHIPDVITYLSRLRNQSIFNFCAIPQVMAIATLAACYNNQQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIHQYMEEIYHRIPNSDPCSTKTQQIISTIRTQNLPNCQLVSRSHYSPIYLSFVMLLAALSWQYLSTLSQVTEDYVQTGEH
  
Inhibitor
Name:
BDBM50076043
Synonyms:
(S)-2-{[(3S,6S,9aS)-6-((S)-2-Amino-3-mercapto-propionylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carbonyl]-amino}-4-methylsulfanyl-butyric acid | CHEMBL353399
Type:
Small organic molecule
Emp. Form.:
C18H30N4O5S2
Mol. Mass.:
446.585
SMILES:
CSCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCC[C@H](NC(=O)[C@H](N)CS)C(=O)N12)C(O)=O
Structure:
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