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Ligand

NameCHEMBL1223281
Molecular formulaC12H17NO2S
IUPAC nameN-[(2S)-1-(3-methoxyphenyl)sulfanylpropan-2-yl]acetamide
Molecular weight239.333
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.2
SynonymsBDBM50416696
Inchi KeyBTZZPTZDAHOEMB-VIFPVBQESA-N
Inchi IDInChI=1S/C12H17NO2S/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
PubChem CID49865378
ChEMBLCHEMBL1223281
IUPHARN/A
BindingDB50416696
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
32843Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
32842Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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