3-chloro-4-[(2-fluorophenyl)methoxy]phenylboronic-acid
General
Type : Boron compound
Chemical_Nomenclature : [3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]boronic acid
Canonical SMILES : B(C1=CC(=C(C=C1)OCC2=CC=CC=C2F)Cl)(O)O
InChI : InChI=1S\/C13H11BClFO3\/c15-11-7-10(14(17)18)5-6-13(11)19-8-9-3-1-2-4-12(9)16\/h1-7,17-18H,8H2
InChIKey : YDPXKZJRODTNBZ-UHFFFAOYSA-N
Other name(s) : 3-Chloro-4-(2'-fluorobenzyloxy)phenylboronic acid,(3-Chloro-4-((2-fluorobenzyl)oxy)phenyl)boronic acid,3-Chloro-4-(2-fluorobenzyloxy)phenylboronic acid,SCHEMBL2555898,CTK8B2500,7N4
MW : 280.48
Formula : C13H11BClFO3
CAS_number : 870777-28-9
PubChem : 16217772
UniChem : YDPXKZJRODTNBZ-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
methoxy]phenylboronic-acid.gif)
Target
Families : 3-chloro-4-[(2-fluorophenyl)methoxy]phenylboronic-acid ligand of proteins in family: Carb_B_Arthropoda
Stucture : 5TYK alpha-esterase-7 in complex with 3-chloro-4-[(2-fluorophenyl)methoxy]phenylboronic acid
Protein : luccu-E3aest7
References (1)
| Title : Overcoming insecticide resistance through computational inhibitor design - Correy_2019_Proc.Natl.Acad.Sci.U.S.A_116_21012 |
| Author(s) : Correy GJ , Zaidman D , Harmelin A , Carvalho S , Mabbitt PD , Calaora V , James PJ , Kotze AC , Jackson CJ , London N |
| Ref : Proc Natl Acad Sci U S A , 116 :21012 , 2019 |
| Abstract : Correy_2019_Proc.Natl.Acad.Sci.U.S.A_116_21012 |
| ESTHER : Correy_2019_Proc.Natl.Acad.Sci.U.S.A_116_21012 |
| PubMedSearch : Correy_2019_Proc.Natl.Acad.Sci.U.S.A_116_21012 |
| PubMedID: 31575743 |
| Gene_locus related to this paper: luccu-E3aest7 |