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Ligand

NameBDBM50014011
Molecular formulaC16H25NO4S
IUPAC name3-O-ethyl 5-O-(2-methylsulfanylethyl) 4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
Molecular weight327.439
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.5
Synonyms4-Ethyl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-(2-methylsulfanyl-ethyl) ester
Inchi KeyBFZXFBSVTFGAMA-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H25NO4S/c1-6-12-13(15(18)20-7-2)10(3)17-11(4)14(12)16(19)21-8-9-22-5/h12-13H,6-9H2,1-5H3
PubChem CID53680099
ChEMBLN/A
IUPHARN/A
BindingDB50014011
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
519799Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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