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Ligand

NameCHEMBL2158335
Molecular formulaC18H16N2O5S2
IUPAC name[6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzenesulfonate
Molecular weight404.455
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.9
SynonymsBDBM50393940
MLS-0445741.0001
Inchi KeyBAQOXYVLSPRIFX-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16N2O5S2/c1-12-8-13(2)20-18(19-12)26-11-14-9-16(21)17(10-24-14)25-27(22,23)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3
PubChem CID49787117
ChEMBLCHEMBL2158335
IUPHARN/A
BindingDB50393940
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
19082Apelin receptorP35414APLNRHomo sapiens (Human)380
19081Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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