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Ligand

NameMLS000766557
Molecular formulaC29H25NO6
IUPAC name(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-(4-oxochromen-3-yl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
Molecular weight483.52
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.9
SynonymsCHEMBL1387572
HMS2208P03
SMR000441994
Inchi KeyAIBWTHJKLMRGKI-KDYSTLNUSA-N
Inchi IDInChI=1S/C29H25NO6/c31-16-19-10-12-20(13-11-19)17-35-27-15-21(24-18-34-25-9-5-4-8-23(25)28(24)32)14-26(36-27)29(33)30-22-6-2-1-3-7-22/h1-14,18,21,27,31H,15-17H2,(H,30,33)/t21-,27+/m0/s1
PubChem CID16197081
ChEMBLCHEMBL1387572
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
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GLASS IDNameUniProtGeneSpeciesLength
463609Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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