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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	SMR000031065
Molecular formula	C17H21N3O4S
IUPAC name	3-(2-methoxyethyl)-4-oxo-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
Molecular weight	363.432
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	0.8
Synonyms	3-(2-methoxyethyl)-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide F0916-6146 SR-01000562708 AKOS002075128 MLS000095512 3-(2-methoxyethyl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide CHEMBL1506739 Oprea1_541278 422527-90-0 HMS2455B23 SR-01000562708-1 AKOS021646283 MLS002588627 3-(2-methoxyethyl)-4-oxo-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide EU-0094730 AC1MMTUX MCULE-3610318973 MolPort-007-915-610 [ Show all ]
Inchi Key	AGWLIFWXFLPKGZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21N3O4S/c1-23-8-6-20-16(22)13-5-4-11(9-14(13)19-17(20)25)15(21)18-10-12-3-2-7-24-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,18,21)(H,19,25)
PubChem CID	3244336
ChEMBL	CHEMBL1506739
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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