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Ligand

NameMLS000109037
Molecular formulaC13H16N2OS
IUPAC name5-acetyl-2-butylsulfanyl-6-methylpyridine-3-carbonitrile
Molecular weight248.344
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.8
SynonymsHMS2163A05
MolPort-042-644-275
5-acetyl-2-butylsulfanyl-6-methylpyridine-3-carbonitrile
SR-01000220636-1
HMS3318N11
[ Show all ]
Inchi KeyADCUUGPRNLBFEF-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H16N2OS/c1-4-5-6-17-13-11(8-14)7-12(10(3)16)9(2)15-13/h7H,4-6H2,1-3H3
PubChem CID2059122
ChEMBLCHEMBL1382721
IUPHARN/A
BindingDBN/A
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
2136Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
2135Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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