Ki Summary

Reaction Details

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Target

Squalene synthase

Ligand

BDBM50270326

Substrate/Competitor

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 Chemother51:4049-61 (2007) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Squalene synthase

Name:

Squalene synthase

Synonyms:

Farnesyltransferase, putative

Type:

PROTEIN

Mol. Mass.:

47117.40

Organism:

Leishmania major

Description:

ChEMBL_520603

Residue:

414

Sequence:

MGFFSDSVAMMRVKWQMRSVKIQVPPEETDLRFCYDIMNDVSRSFAVVVAQLADQQLRDA
ICIFYLVLRALDTLEDDMSVPVDVKLKELPKFHTHTSDMSWCMSGVGEGRERELLAKYPC
VSREFKKLKKEYQDVIANICERMANGMCEFLKRPVVTKDDYNQYCHYVAGLVGHGLTQLF
ARCGFEDPSLDDDLTSSNHMGLFLQKTNIIRDYYEDIREEPPRMFWPKEIWGTYVTELKE
LKSESNNAAAVQCLNAMVADALVHVPYIVDYLSALRDPSVFRFCAIPQVMAIATLKEVYN
NPDTFQVKVKVSRPESCRIMLKATTLYSSLSMFRDYCVELQEKLDMQDASSVSIANSLAA
AIERIDLQLKKCQDVSYTRSLLARYPGLGGQFLLTVMDTVAGFFGGRKEIAGHA

BDBM50270326

n/a

Name

BDBM50270326

Synonyms:

3-[1'-{2'-(4''-Methoxyphenyl)}-ethynyl]-3-quinuclidinol | CHEMBL516436

Type

Small organic molecule

Emp. Form.

C16H19NO2

Mol. Mass.

257.3276

SMILES

COc1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(2.16,3.72,;.82,4.48,;-.51,3.7,;-.5,2.16,;-1.82,1.38,;-3.16,2.15,;-3.17,3.68,;-1.85,4.46,;-4.48,1.37,;-5.81,.58,;-7.14,-.19,;-7.15,1.35,;-7.14,-1.74,;-8.48,-2.51,;-9.81,-1.74,;-9.81,-.19,;-8.48,.59,;-9.21,-.77,;-7.72,-1.17,)|

Structure