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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	BAS 00314132
Molecular formula	C20H20N6O
IUPAC name	6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
Molecular weight	360.421
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.9
Synonyms	HMS1850B14 N-[6-(2,3-dimethylanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-N-(2,5-dimethylphenyl)amine AKOS022052425 CHEMBL1552344 MCULE-5188574938 6-N-(2,3-dimethylphenyl)-5-N-(2,5-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine NCGC00117630-01 D268-0037 MolPort-003-812-204 AC1LL6D5 ZINC793487 [ Show all ]
Inchi Key	ADSUIKWZHHALJL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20N6O/c1-11-8-9-13(3)16(10-11)22-18-17(23-19-20(24-18)26-27-25-19)21-15-7-5-6-12(2)14(15)4/h5-10H,1-4H3,(H,21,23,25)(H,22,24,26)
PubChem CID	1079453
ChEMBL	CHEMBL1552344
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	7079.5 nM	PubChem BioAssay data set	ChEMBL

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