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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	SMR000131240
Molecular formula	C21H31N3O3S
IUPAC name	6,7-diethoxy-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
Molecular weight	405.557
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.7
Synonyms	AKOS002097486 MCULE-4814163301 6,7-diethoxy-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one MolPort-007-913-079 EU-0094661 AKOS021629152 MLS-0078009.0001 6,7-diethoxy-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one CHEMBL1564718 AC1NMSWO HMS2416A19 6,7-diethoxy-3-[2-(2-ethyl-1-piperidinyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one BDBM76116 MLS000520831 6,7-diethoxy-3-[2-(2-ethylpiperidino)ethyl]-2-thioxo-1H-quinazolin-4-one cid_5056559 [ Show all ]
Inchi Key	DIWHXHHRBNIPKP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H31N3O3S/c1-4-15-9-7-8-10-23(15)11-12-24-20(25)16-13-18(26-5-2)19(27-6-3)14-17(16)22-21(24)28/h13-15H,4-12H2,1-3H3,(H,22,28)
PubChem CID	5056559
ChEMBL	CHEMBL1564718
IUPHAR	N/A
BindingDB	76116
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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