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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	MLS001199446
Molecular formula	C17H13FO5S
IUPAC name	3-(4-fluoro-3-methylphenyl)sulfonyl-7-hydroxy-8-methylchromen-2-one
Molecular weight	348.344
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	AKOS001812404 MLS-0323357.0001 CHEMBL1532646 ZINC6736739 3-(4-fluoranyl-3-methyl-phenyl)sulfonyl-8-methyl-7-oxidanyl-chromen-2-one 3-(4-fluoro-3-methylphenyl)sulfonyl-7-hydroxy-8-methylchromen-2-one HMS2850P07 BDBM90881 cid_20864499 3-(4-fluoro-3-methyl-phenyl)sulfonyl-7-hydroxy-8-methyl-coumarin 3-[(4-fluoro-3-methylphenyl)sulfonyl]-7-hydroxy-8-methyl-2H-chromen-2-one MCULE-8650898615 SMR000562864 HMS1626P20 3-(4-fluoro-3-methylphenyl)sulfonyl-7-hydroxy-8-methyl-1-benzopyran-2-one [ Show all ]
Inchi Key	HLGILKFCTLIAPA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H13FO5S/c1-9-7-12(4-5-13(9)18)24(21,22)15-8-11-3-6-14(19)10(2)16(11)23-17(15)20/h3-8,19H,1-2H3
PubChem CID	20864499
ChEMBL	CHEMBL1532646
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	39810.7 nM	PubChem BioAssay data set	ChEMBL

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