5LKR-6yc
General
Type : Piperidine,Carboxamide,Naphthalen
Chemical_Nomenclature : N-(2-methoxyethyl)-N-[[(3S)-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide
Canonical SMILES : COCCN(CC1CCCN(C1)CC#C)C(=O)C2=CC3=CC=CC=C3C=C2
InChI : InChI=1S\/C23H28N2O2\/c1-3-12-24-13-6-7-19(17-24)18-25(14-15-27-2)23(26)22-11-10-20-8-4-5-9-21(20)16-22\/h1,4-5,8-11,16,19H,6-7,12-15,17-18H2,2H3\/t19-\/m0\/s1
InChIKey : FTXYXGOUTSVXAQ-IBGZPJMESA-N
Other name(s) :
MW : 364.48
Formula : C23H28N2O2
CAS_number :
PubChem : 122706715
UniChem : FTXYXGOUTSVXAQ-IBGZPJMESA-N
IUPHAR :
Wikipedia :
Target
Families : 5LKR-6yc ligand of proteins in family: BCHE
Stucture : 5LKR Human Butyrylcholinesterase complexed with N-Propargyliperidine 5LKR-6yc
Protein : human-BCHE
References (1)
| Title : N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents - Kosak_2017_Bioorg.Med.Chem_25_633 |
| Author(s) : Kosak U , Knez D , Coquelle N , Brus B , Pislar A , Nachon F , Brazzolotto X , Kos J , Colletier JP , Gobec S |
| Ref : Bioorganic & Medicinal Chemistry , 25 :633 , 2017 |
| Abstract : Kosak_2017_Bioorg.Med.Chem_25_633 |
| ESTHER : Kosak_2017_Bioorg.Med.Chem_25_633 |
| PubMedSearch : Kosak_2017_Bioorg.Med.Chem_25_633 |
| PubMedID: 27908752 |
| Gene_locus related to this paper: human-BCHE |