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Target
Squalene synthase
Ligand
BDBM50270285
Substrate
n/a
Meas. Tech.
ChEMBL_520603 (CHEMBL959525)
IC50
>1000±n/a nM
Citation
 Cammerer, SB; Jimenez, C; Jones, S; Gros, L; Lorente, SO; Rodrigues, C; Rodrigues, JC; Caldera, A; Ruiz Perez, LM; da Souza, W; Kaiser, M; Brun, R; Urbina, JA; Gonzalez Pacanowska, D; Gilbert, IH Quinuclidine derivatives as potential antiparasitics. Antimicrob Agents Chemother 51:4049-61 (2007) [PubMed]  Article 
Target
Name:
Squalene synthase
Synonyms:
Farnesyltransferase, putative
Type:
PROTEIN
Mol. Mass.:
47117.40
Organism:
Leishmania major
Description:
ChEMBL_520603
Residue:
414
Sequence:
MGFFSDSVAMMRVKWQMRSVKIQVPPEETDLRFCYDIMNDVSRSFAVVVAQLADQQLRDAICIFYLVLRALDTLEDDMSVPVDVKLKELPKFHTHTSDMSWCMSGVGEGRERELLAKYPCVSREFKKLKKEYQDVIANICERMANGMCEFLKRPVVTKDDYNQYCHYVAGLVGHGLTQLFARCGFEDPSLDDDLTSSNHMGLFLQKTNIIRDYYEDIREEPPRMFWPKEIWGTYVTELKELKSESNNAAAVQCLNAMVADALVHVPYIVDYLSALRDPSVFRFCAIPQVMAIATLKEVYNNPDTFQVKVKVSRPESCRIMLKATTLYSSLSMFRDYCVELQEKLDMQDASSVSIANSLAAAIERIDLQLKKCQDVSYTRSLLARYPGLGGQFLLTVMDTVAGFFGGRKEIAGHA
  
Inhibitor
Name:
BDBM50270285
Synonyms:
(E/Z)-3-[4'-Carbonylbenzylidene]-quinuclidine | CHEMBL478359
Type:
Small organic molecule
Emp. Form.:
C15H17NO
Mol. Mass.:
227.3016
SMILES:
O=Cc1ccc(\C=C2/CN3CCC2CC3)cc1 |(-1.72,-10.71,;-1.72,-9.17,;-3.05,-8.4,;-3.06,-6.85,;-4.39,-6.09,;-5.71,-6.86,;-7.04,-6.08,;-8.38,-6.85,;-8.38,-8.4,;-9.72,-9.17,;-11.05,-8.4,;-11.05,-6.85,;-9.72,-6.07,;-10.46,-7.43,;-8.97,-7.84,;-5.72,-8.4,;-4.39,-9.16,)|
Structure:
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