Ki Summary

Reaction Details

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Target

Squalene synthase

Ligand

BDBM50208577

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_520603 (CHEMBL959525)

IC50

33±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

BDBM50208577

n/a

Name

BDBM50208577

Synonyms:

(R)-3-((2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl)ethynyl)quinuclidin-3-ol | (R)-3-(2-(2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl)ethynyl)quinuclidin-3-ol | CHEMBL258503 | ER-119884

Type

Small organic molecule

Emp. Form.

C25H30N2O3

Mol. Mass.

406.5173

SMILES

COCCCOc1ccc(C#C[C@@]2(O)CN3CCC2CC3)c(Cc2ccccc2)n1 |r,wU:12.11,wD:12.12,(8.54,-45.34,;7.2,-44.58,;5.87,-45.37,;4.53,-44.61,;3.21,-45.39,;1.87,-44.63,;.54,-45.41,;.55,-46.95,;-.78,-47.73,;-2.11,-46.96,;-3.44,-47.74,;-4.76,-48.52,;-6.09,-49.29,;-6.11,-47.75,;-6.09,-50.84,;-7.44,-51.61,;-8.77,-50.84,;-8.77,-49.29,;-7.44,-48.51,;-8.17,-49.87,;-6.68,-50.27,;-2.13,-45.43,;-3.47,-44.68,;-3.49,-43.14,;-2.16,-42.36,;-2.18,-40.83,;-3.52,-40.07,;-4.85,-40.86,;-4.83,-42.4,;-.81,-44.65,)|

Structure