5DYT-5hb
General
Type : Piperidine,Derivative of Donepezil,Sulfonamide,Sulfur Compound,Naphthalen
Chemical_Nomenclature : N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-methylnaphthalene-2-sulfonamide
Canonical SMILES : CN(CC1CCCN(C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
InChI : InChI=1S\/C24H28N2O2S\/c1-25(29(27,28)24-14-13-22-11-5-6-12-23(22)16-24)17-21-10-7-15-26(19-21)18-20-8-3-2-4-9-20\/h2-6,8-9,11-14,16,21H,7,10,15,17-19H2,1H3\/t21-\/m0\/s1
InChIKey : BZENTEFFWGJVPW-NRFANRHFSA-N
Other name(s) : 5HB,N-((1-benzylpiperidin-3-yl)methyl)-N-methylnaphthalene-2-sulfonamide
MW : 408.56
Formula : C24H28N2O2S
CAS_number :
PubChem : 122172815
UniChem : BZENTEFFWGJVPW-NRFANRHFSA-N
IUPHAR :
Wikipedia :
Target
Families : 5DYT-5hb ligand of proteins in family: BCHE
Stucture : 5DYW Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide
Protein : human-BCHE
References (1)
| Title : Development of an in-vivo active reversible butyrylcholinesterase inhibitor - Kosak_2016_Sci.Rep_6_39495 |
| Author(s) : Kosak U , Brus B , Knez D , Sink R , Zakelj S , Trontelj J , Pislar A , Slenc J , Gobec M , Zivin M , Tratnjek L , Perse M , Salat K , Podkowa A , Filipek B , Nachon F , Brazzolotto X , Wieckowska A , Malawska B , Stojan J , Rascan IM , Kos J , Coquelle N , Colletier JP , Gobec S |
| Ref : Sci Rep , 6 :39495 , 2016 |
| Abstract : Kosak_2016_Sci.Rep_6_39495 |
| ESTHER : Kosak_2016_Sci.Rep_6_39495 |
| PubMedSearch : Kosak_2016_Sci.Rep_6_39495 |
| PubMedID: 28000737 |
| Gene_locus related to this paper: human-BCHE |