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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Parathyroid hormone/parathyroid hormone-related peptide receptor
Species	Homo sapiens (Human)
Gene	PTH1R
Synonym	PTH1 receptor PTHR PTH/PTHrP type I receptor PTH/PTHr receptor PPR Parathyroid hormone 1 receptor PTHR1 [ Show all ]
Disease	N/A
Length	593
Amino acid sequence	MGTARIAPGLALLLCCPVLSSAYALVDADDVMTKEEQIFLLHRAQAQCEKRLKEVLQRPASIMESDKGWTSASTSGKPRKDKASGKLYPESEEDKEAPTGSRYRGRPCLPEWDHILCWPLGAPGEVVAVPCPDYIYDFNHKGHAYRRCDRNGSWELVPGHNRTWANYSECVKFLTNETREREVFDRLGMIYTVGYSVSLASLTVAVLILAYFRRLHCTRNYIHMHLFLSFMLRAVSIFVKDAVLYSGATLDEAERLTEEELRAIAQAPPPPATAAAGYAGCRVAVTFFLYFLATNYYWILVEGLYLHSLIFMAFFSEKKYLWGFTVFGWGLPAVFVAVWVSVRATLANTGCWDLSSGNKKWIIQVPILASIVLNFILFINIVRVLATKLRETNAGRCDTRQQYRKLLKSTLVLMPLFGVHYIVFMATPYTEVSGTLWQVQMHYEMLFNSFQGFFVAIIYCFCNGEVQAEIKKSWSRWTLALDFKRKARSGSSSYSYGPMVSHTSVTNVGPRVGLGLPLSPRLLPTATTNGHPQLPGHAKPGTPALETLETTPPAMAAPKDDGFLNGSCSGLDEEASGPERPPALLQEEWETVM
UniProt	Q03431
Protein Data Bank	6fj3, 3h3g, 3c4m
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 6fj3.
BioLiP	BL0161387, BL0433539,BL0433540, BL0161388, BL0143680,BL0143682, BL0143681,BL0143683
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1793
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	SMR000105815
Molecular formula	C13H11F3N2O2
IUPAC name	9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
Molecular weight	284.238
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.5
Synonyms	HMS2343O24 AC1LBH9A MolPort-002-557-009 4-(Trifluoromethyl)-8-methyl-5,6,7,8-tetrahydro-2H-1-oxa-8,9-diazaanthracene-2-one CTK7H7319 ZINC4477688 9-Methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[2,3-b][1,8]naphthyridin-2-one # AKOS022111467 MCULE-7761146390 CHEMBL1479965 6,7,8,9-Tetrahydro-9-methyl-4-trifluoromethyl-2H-pyrano[2,3-b][1,8]naphthyridin-2-one DFTKAPQWXBEJOB-UHFFFAOYSA-N 9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one BDBM50850 MLS000109880 cid_535721 STL328182 9-Methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[2,3-b][1,8]naphthyridin-2-one [ Show all ]
Inchi Key	DFTKAPQWXBEJOB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H11F3N2O2/c1-18-4-2-3-7-5-8-9(13(14,15)16)6-10(19)20-12(8)17-11(7)18/h5-6H,2-4H2,1H3
PubChem CID	535721
ChEMBL	CHEMBL1479965
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	56234.1 nM	PubChem BioAssay data set	ChEMBL

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