Ki Summary

Reaction Details

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Target

Squalene synthase

Ligand

BDBM50269918

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

BDBM50269918

n/a

Name

BDBM50269918

Synonyms:

3-[1'-{2'-(5''-Acetylthiophenyl)}-ethynyl]-3-quinuclidinol | CHEMBL518600

Type

Small organic molecule

Emp. Form.

C15H17NO2S

Mol. Mass.

275.366

SMILES

CC(=O)c1ccc(s1)C#CC1(O)CN2CCC1CC2 |(11.49,-31.62,;12.41,-32.86,;13.94,-32.68,;11.79,-34.27,;12.57,-35.59,;11.55,-36.74,;10.14,-36.14,;10.29,-34.6,;8.81,-36.92,;7.49,-37.7,;6.16,-38.47,;6.14,-36.93,;6.16,-40.02,;4.82,-40.79,;3.48,-40.02,;3.48,-38.47,;4.82,-37.69,;4.08,-39.05,;5.57,-39.46,)|

Structure