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Ligand

NameMLS002179722
Molecular formulaC22H27NO7S
IUPAC name(4-methoxyphenyl)methyl 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate
Molecular weight449.518
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.8
SynonymsMCULE-2926878205
SMR001268752
CHEMBL1448720
AKOS008021765
ZINC32674212
[ Show all ]
Inchi KeyAFCHLPSQENTEIA-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27NO7S/c1-27-18-6-4-16(5-7-18)15-30-22(24)17-10-12-23(13-11-17)31(25,26)19-8-9-20(28-2)21(14-19)29-3/h4-9,14,17H,10-13,15H2,1-3H3
PubChem CID25162076
ChEMBLCHEMBL1448720
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463375Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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