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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000324754
Molecular formula	C18H9F6NO3
IUPAC name	ethyl 6,7,8-trifluoro-4-oxo-1-(2,3,4-trifluorophenyl)quinoline-3-carboxylate
Molecular weight	401.264
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	4.3
Synonyms	6,7,8-trifluoro-4-oxo-1-(2,3,4-trifluorophenyl)-3-quinolinecarboxylic acid ethyl ester ethyl 6,7,8-tris(fluoranyl)-4-oxidanylidene-1-[2,3,4-tris(fluoranyl)phenyl]quinoline-3-carboxylate SMR000163410 ethyl 6,7,8-trifluoro-4-oxo-1-(2,3,4-trifluorophenyl)-1,4-dihydro-3-quinolinecarboxylate AC1LW1MI HMS2371P04 CHEMBL1882999 6,7,8-trifluoro-4-keto-1-(2,3,4-trifluorophenyl)quinoline-3-carboxylic acid ethyl ester ethyl 6,7,8-trifluoro-4-oxo-1-(2,3,4-trifluorophenyl)quinoline-3-carboxylate BDBM95922 cid_1716470 [ Show all ]
Inchi Key	AIGQYWRPXHOOPU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H9F6NO3/c1-2-28-18(27)8-6-25(11-4-3-9(19)12(21)14(11)23)16-7(17(8)26)5-10(20)13(22)15(16)24/h3-6H,2H2,1H3
PubChem CID	1716470
ChEMBL	CHEMBL1882999
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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