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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	N-[4-(diethylamino)-2-methylphenyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
Molecular formula	C20H22N4O2
IUPAC name	N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
Molecular weight	350.422
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.1
Synonyms	AC1MMKTH MLS002587958 SMR000028822 MCULE-7664499119 AKOS001862877 CHEMBL1610535 ZINC4057054 MLS000093198 CCG-136654 N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide HMS2434B13 [ Show all ]
Inchi Key	ADUMUHBWZYVOIC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N4O2/c1-4-23(5-2)15-9-10-17(14(3)12-15)22-19(25)16-13-21-18-8-6-7-11-24(18)20(16)26/h6-13H,4-5H2,1-3H3,(H,22,25)
PubChem CID	3240310
ChEMBL	CHEMBL1610535
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	8912.5 nM	PubChem BioAssay data set	ChEMBL

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