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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	1,3-Dipropyl-8-p-sulfophenylxanthine
Molecular formula	C17H20N4O5S
IUPAC name	4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid
Molecular weight	392.43
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.1
Synonyms	CHEMBL418333 HMS3374O06 NCGC00015001-02 SMR000326868 1,3-Dipropyl-8-(p-sulfophenyl)xanthine 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid:1/4 moles H2O ACMC-20ccmd Benzenesulfonic acid, 4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)- DTXSID70237528 Lopac0_000145 NCGC00093635-01 Tox21_500145 1,3-Dspx CCG-204240 HMS2231H19 MLS002153336 PSPX 4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonic acid AC1L1B8N CTK5G2512 IWALGNIFYOBRKC-UHFFFAOYSA-N NCGC00015001-03 SR-01000075228 1,3-Dipropyl-8-(p-sulfophenyl)xanthine, powder 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid AKOS027320584 Benzenesulfonic acid,4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)- EU-0100145 LP00145 NCGC00093635-02 VZ20604 4-(1,3-dipropyl-2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid 89073-57-4 HMS3260M12 NCGC00015001-01 SCHEMBL1321892 1,3-Dipropyl-8-(4-sulfophenyl)xanthine 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid AC1Q6X0U DPSPX Lopac-A-022 NCGC00015001-04 SR-01000075228-1 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid BDBM50018162 C-21569 FT-0606724 LS-191127 NCGC00260830-01 ZINC9229228 4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)-benzenesulfonic acid A-022 [ Show all ]
Inchi Key	IWALGNIFYOBRKC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26)
PubChem CID	1330
ChEMBL	CHEMBL418333
IUPHAR	N/A
BindingDB	50018162
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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