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Ligand

NameMLS001079186
Molecular formulaC22H22N2O3S
IUPAC name[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylacetate
Molecular weight394.489
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.8
SynonymsCHEMBL1593349
MolPort-004-539-537
HMS3031A14
AKOS001289977
MCULE-1489989535
[ Show all ]
Inchi KeyAEGKZEHVNVHNKT-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22N2O3S/c1-15-13-20(23-19-12-8-7-11-18(15)19)28-14-21(25)27-16(2)22(26)24(3)17-9-5-4-6-10-17/h4-13,16H,14H2,1-3H3
PubChem CID16583798
ChEMBLCHEMBL1593349
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
3441Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463303Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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