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Ligand

NamePca 4248
Molecular formulaC19H23NO4S
IUPAC name3-O-methyl 5-O-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular weight361.456
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsBio1_000954
CHEBI:91615
HMS1990B15
KBio2_005470
METHYL-2-(PHENYLTHIO)ETHYL-1,4-DIHYDRO-2,4,6-TRIMETHYLPYRIDINE-3,5-DICARBOXYLATE
[ Show all ]
Inchi KeyDHCNAWNKZMNTIS-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23NO4S/c1-12-16(18(21)23-4)13(2)20-14(3)17(12)19(22)24-10-11-25-15-8-6-5-7-9-15/h5-9,12,20H,10-11H2,1-4H3
PubChem CID4698
ChEMBLN/A
IUPHAR6080
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
553543Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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