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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	N-(2,4-difluorophenyl)-2-[(6-pyridin-2-ylpyridazin-3-yl)thio]acetamide
Molecular formula	C17H12F2N4OS
IUPAC name	N-(2,4-difluorophenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
Molecular weight	358.367
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.4
Synonyms	CCG-77752 MLS001237555 E548-0211 887225-66-3 HMS3000B07 ZINC6859358 MolPort-003-086-759 F2005-0211 NCGC00122755-01 AKOS001929210 MCULE-7822611892 CHEMBL1712801 N-(2,4-difluorophenyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide HMS1865G03 SMR000746241 [ Show all ]
Inchi Key	AEHZIKKBMXSYNW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H12F2N4OS/c18-11-4-5-13(12(19)9-11)21-16(24)10-25-17-7-6-15(22-23-17)14-3-1-2-8-20-14/h1-9H,10H2,(H,21,24)
PubChem CID	16019319
ChEMBL	CHEMBL1712801
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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