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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	CHEMBL1556836
Molecular formula	C25H24N2O4S
IUPAC name	N-(4-ethoxyphenyl)-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
Molecular weight	448.537
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.8
Synonyms	C769-1858 N-(4-ethoxyphenyl)-6-methoxy-3-[(4-methylphenyl)sulfonyl]quinolin-4-amine F1608-0634 895648-38-1 MolPort-003-071-755 NCGC00112931-01 HMS1837E05 AKOS001859928 N-(4-ethoxyphenyl)-6-methoxy-3-tosylquinolin-4-amine ZINC8605046 MCULE-5877579190 [ Show all ]
Inchi Key	ACLJHFKYBFQIBP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H24N2O4S/c1-4-31-19-9-7-18(8-10-19)27-25-22-15-20(30-3)11-14-23(22)26-16-24(25)32(28,29)21-12-5-17(2)6-13-21/h5-16H,4H2,1-3H3,(H,26,27)
PubChem CID	16010948
ChEMBL	CHEMBL1556836
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	112202.0 nM	PubChem BioAssay data set	ChEMBL

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