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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	CHEMBL1532430
Molecular formula	C25H28N4O3
IUPAC name	[4-(4-methoxyphenyl)piperazin-1-yl]-(1-morpholin-4-ylisoquinolin-4-yl)methanone
Molecular weight	432.524
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.2
Synonyms	HMS1899A09 4-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}-1-morpholin-4-ylisoquinoline NCGC00134810-01 MCULE-5320934309 AKOS002060193 ZINC33072991 G817-0302 MolPort-007-886-127 [ Show all ]
Inchi Key	AAIINWFCEIFHHA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H28N4O3/c1-31-20-8-6-19(7-9-20)27-10-12-29(13-11-27)25(30)23-18-26-24(28-14-16-32-17-15-28)22-5-3-2-4-21(22)23/h2-9,18H,10-17H2,1H3
PubChem CID	16031245
ChEMBL	CHEMBL1532430
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	125892.0 nM	PubChem BioAssay data set	ChEMBL

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