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Target
Squalene synthase
Ligand
BDBM50269924
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:
BDBM50269924
Synonyms:
3-[1'-{2'-(4''-Chloro-3''-pyridinyl)}-ethynyl]-3-quinuclidinol | CHEMBL478530
Type:
Small organic molecule
Emp. Form.:
C14H15ClN2O
Mol. Mass.:
262.735
SMILES:
OC1(CN2CCC1CC2)C#Cc1ccc(Cl)nc1 |(-8.28,-22.88,;-8.26,-24.42,;-8.26,-25.97,;-9.61,-26.74,;-10.94,-25.97,;-10.94,-24.42,;-9.61,-23.64,;-10.34,-25,;-8.85,-25.4,;-6.94,-23.65,;-5.61,-22.86,;-4.28,-22.08,;-2.95,-22.85,;-1.62,-22.07,;-1.63,-20.53,;-.31,-19.75,;-2.98,-19.77,;-4.3,-20.55,)|
Structure:
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