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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	AC1NJXT4
Molecular formula	C25H24N2O5S
IUPAC name	4-methoxy-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
Molecular weight	464.536
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.9
Synonyms	AKOS005510515 N-((2-hydroxy-8-methylquinolin-3-yl)methyl)-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide 4-methoxy-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide HMS2930K10 ZINC9452403 MolPort-000-811-075 SMR000650281 4-methoxy-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide MCULE-6141960231 AKOS003649018 MolPort-002-650-034 CHEMBL1559304 STK587895 879474-09-6 MLS001140837 [ Show all ]
Inchi Key	ABDUJZSUPAOZCM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H24N2O5S/c1-17-5-4-6-18-15-19(25(28)26-24(17)18)16-27(20-7-9-21(31-2)10-8-20)33(29,30)23-13-11-22(32-3)12-14-23/h4-15H,16H2,1-3H3,(H,26,28)
PubChem CID	4904517
ChEMBL	CHEMBL1559304
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	112202.0 nM	PubChem BioAssay data set	ChEMBL

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