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Target
Squalene synthase
Ligand
BDBM50270299
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:
BDBM50270299
Synonyms:
(E)-3-[4'-(1'',3''-Dioxolanyl)-benzylidene]-quinuclidine | CHEMBL478912
Type:
Small organic molecule
Emp. Form.:
C17H21NO2
Mol. Mass.:
271.3541
SMILES:
C1COC(O1)c1ccc(\C=C2\CN3CCC2CC3)cc1 |(30.99,-2.22,;29.45,-2.22,;28.97,-3.68,;30.22,-4.59,;31.46,-3.69,;30.22,-6.13,;31.54,-6.9,;31.55,-8.43,;30.21,-9.2,;30.21,-10.74,;28.88,-11.51,;28.88,-13.05,;27.53,-13.82,;26.2,-13.05,;26.2,-11.5,;27.53,-10.73,;26.81,-12.09,;28.29,-12.49,;28.88,-8.44,;28.88,-6.9,)|
Structure:
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