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Ligand

NameMLS003178717
Molecular formulaC22H22F3NO4S
IUPAC nameethyl 1-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboxylate
Molecular weight453.476
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.5
SynonymsCHEMBL1881100
SMR001882512
1-Tosyl-6-[2-(trifluoromethyl)phenyl]-1,2,5,6-tetrahydropyridine-3-carboxylic acid ethyl ester
Inchi KeyAHPBRSVDJPKEIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22F3NO4S/c1-3-30-21(27)16-10-13-20(18-6-4-5-7-19(18)22(23,24)25)26(14-16)31(28,29)17-11-8-15(2)9-12-17/h4-12,20H,3,13-14H2,1-2H3
PubChem CID51359087
ChEMBLCHEMBL1881100
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
5783Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463579Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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