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Target
Squalene synthase
Ligand
BDBM50269919
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:
BDBM50269919
Synonyms:
3-[1'-{2'-(2''-Methyl-5''-aminophenyl)}-ethynyl]-3-quinuclidinol | CHEMBL478347
Type:
Small organic molecule
Emp. Form.:
C16H20N2O
Mol. Mass.:
256.3428
SMILES:
Cc1ccc(N)cc1C#CC1(O)CN2CCC1CC2 |(27.33,-24.36,;27.33,-22.82,;28.66,-22.04,;28.64,-20.5,;27.3,-19.74,;27.28,-18.2,;25.98,-20.53,;25.99,-22.06,;24.66,-22.83,;23.34,-23.62,;22.01,-24.39,;22,-22.85,;22.01,-25.94,;20.67,-26.71,;19.33,-25.94,;19.33,-24.39,;20.67,-23.61,;19.93,-24.97,;21.42,-25.37,)|
Structure:
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