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Ligand

NameMLS000778774
Molecular formulaC21H18N2O4S2
IUPAC name4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid
Molecular weight426.505
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.2
Synonyms4-[[[3-(2-furfuryl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid
CHEMBL1380897
ZINC2220734
4-({[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
AC1LXMN0
[ Show all ]
Inchi KeyAMWHVEURRCUUSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18N2O4S2/c1-12-13(2)29-18-17(12)19(24)23(10-16-4-3-9-27-16)21(22-18)28-11-14-5-7-15(8-6-14)20(25)26/h3-9H,10-11H2,1-2H3,(H,25,26)
PubChem CID1853121
ChEMBLCHEMBL1380897
IUPHARN/A
BindingDB61842
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9308Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
9309Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
9310Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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