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Ligand

NameBenoxathian
Molecular formulaC19H23NO4S
IUPAC nameN-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
Molecular weight361.456
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
Synonyms92642-94-9
2-(((2-(2,6-Dimethoxyphenoxy)ethyl)amino)methyl)-1,4-benzoxathian
1,4-benzoxathiin-2-methanamine, n-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro-
1,4-Benzoxathiin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-
AC1L1DFC
[ Show all ]
Inchi KeyQAUVAHYHKLRJCQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23NO4S/c1-21-16-7-5-8-17(22-2)19(16)23-11-10-20-12-14-13-25-18-9-4-3-6-15(18)24-14/h3-9,14,20H,10-13H2,1-2H3
PubChem CID2325
ChEMBLCHEMBL191044
IUPHARN/A
BindingDB86232
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
273747Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
273746D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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