Ki Summary

Reaction Details

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Target

Squalene synthase

Ligand

BDBM50269923

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

BDBM50269923

n/a

Name

BDBM50269923

Synonyms:

3-[1'-{2'-(4''-Amino-3''-pyridinyl)}-ethynyl]-3-quinuclidinol | CHEMBL478350

Type

Small organic molecule

Emp. Form.

C14H17N3O

Mol. Mass.

243.3043

SMILES

Nc1ccc(cn1)C#CC1(O)CN2CCC1CC2 |(32.36,-8.59,;31.04,-9.37,;31.05,-10.91,;29.72,-11.69,;28.39,-10.92,;28.37,-9.39,;29.69,-8.61,;27.06,-11.7,;25.74,-12.48,;24.41,-13.26,;24.39,-11.72,;24.41,-14.8,;23.07,-15.57,;21.73,-14.8,;21.73,-13.26,;23.07,-12.48,;22.33,-13.84,;23.82,-14.24,)|

Structure