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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	CHEMBL1317251
Molecular formula	C21H20N4O5S2
IUPAC name	N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Molecular weight	472.534
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.2
Synonyms	N-{2-[2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide G856-5036 AKOS002055900 MolPort-003-129-823 NCGC00136239-01 HMS1903I10 CCG-92650 N-(2-(2-(4-methoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide F2521-0294 ZINC8601434 877642-30-3 MCULE-7099370679 [ Show all ]
Inchi Key	AACSWPKJBKRNAM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20N4O5S2/c1-28-16-4-2-14(3-5-16)20-23-21-25(24-20)15(13-31-21)8-9-22-32(26,27)17-6-7-18-19(12-17)30-11-10-29-18/h2-7,12-13,22H,8-11H2,1H3
PubChem CID	16032178
ChEMBL	CHEMBL1317251
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	50118.7 nM	PubChem BioAssay data set	ChEMBL

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