Difluoromethyl-ketone-BT7
General
Type : Ketone,Pyrazole
Chemical_Nomenclature : 2,2-difluoro-1-(1-pentan-3-ylpyrazol-4-yl)ethanone
Canonical SMILES : CCC(CC)N1C=C(C=N1)C(C(F)F)(O)O || CCC(CC)N1C=C(C=N1)C(=O)C(F)F
InChI : InChI=1S\/C10H16F2N2O2\/c1-3-8(4-2)14-6-7(5-13-14)10(15,16)9(11)12\/h5-6,8-9,15-16H,3-4H2,1-2H3 || InChI=1S\/C10H14F2N2O\/c1-3-8(4-2)14-6-7(5-13-14)9(15)10(11)12\/h5-6,8,10H,3-4H2,1-2H3
InChIKey : CXRFTMBBQPEGFB-UHFFFAOYSA-N || LKTXIVWHOJXFEW-VIFPVBQESA-N || OMWCMVDBFIANLH-UHFFFAOYSA-N
Other name(s) : (1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol,BT7,CHEMBL3623558,BDBM50124872,2,2-difluoro-1-(1-pentan-3-ylpyrazol-4-yl)ethane-1,1-diol
MW : 234.24
Formula : C10H16F2N2O
CAS_number :
PubChem : 131955133, 122192583
UniChem : CXRFTMBBQPEGFB-UHFFFAOYSA-N || LKTXIVWHOJXFEW-VIFPVBQESA-N || OMWCMVDBFIANLH-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Difluoromethyl-ketone-BT7 ligand of proteins in family: ACHE
Stucture : 6ARY Crystal structure of an insecticide-resistant acetylcholinesterase mutant (G119S) from the malaria vector Anopheles gambiae in complex with a difluoromethyl ketone inhibitor
Protein : anoga-ACHE1
References (1)
| Title : Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance - Cheung_2018_Structure_26_130 |
| Author(s) : Cheung J , Mahmood A , Kalathur R , Liu L , Carlier PR |
| Ref : Structure , 26 :130 , 2018 |
| Abstract : Cheung_2018_Structure_26_130 |
| ESTHER : Cheung_2018_Structure_26_130 |
| PubMedSearch : Cheung_2018_Structure_26_130 |
| PubMedID: 29276037 |
| Gene_locus related to this paper: anoga-ACHE1 |