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Target
Squalene synthase
Ligand
BDBM50269937
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:
BDBM50269937
Synonyms:
3-[1'-2'-(4''-Hydroxy-3''-benzoic acid)}-ethynyl]-3-quinuclidinol | CHEMBL517203
Type:
Small organic molecule
Emp. Form.:
C16H17NO4
Mol. Mass.:
287.3105
SMILES:
OC(=O)c1cc(ccc1O)C#CC1(O)CN2CCC1CC2 |(-4.7,-31.17,;-3.36,-31.93,;-2.03,-31.14,;-3.34,-33.47,;-4.66,-34.25,;-4.65,-35.78,;-3.31,-36.54,;-1.98,-35.76,;-1.99,-34.23,;-.67,-33.44,;-5.97,-36.56,;-7.3,-37.34,;-8.63,-38.11,;-8.64,-36.57,;-8.63,-39.66,;-9.97,-40.43,;-11.3,-39.66,;-11.3,-38.11,;-9.97,-37.33,;-10.7,-38.69,;-9.21,-39.1,)|
Structure:
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