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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	MLS000556999
Molecular formula	C18H21N3O
IUPAC name	(E,Z)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
Molecular weight	295.386
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.6
Synonyms	MolPort-002-589-981 315216-57-0 STL337963 CHEMBL3194192 N-[(1E,2Z)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]-4-phenylpiperazin-1-amine AKOS022095848 [(Z)-3-Furan-2-yl-2-methyl-prop-2-en-(E)-ylidene]-(4-phenyl-piperazin-1-yl)-amine SMR000148116 [ Show all ]
Inchi Key	AICSVHKDXCXLGP-UOHONPKESA-N
Inchi ID	InChI=1S/C18H21N3O/c1-16(14-18-8-5-13-22-18)15-19-21-11-9-20(10-12-21)17-6-3-2-4-7-17/h2-8,13-15H,9-12H2,1H3/b16-14-,19-15+
PubChem CID	9579635
ChEMBL	CHEMBL3194192
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	112202.0 nM	PubChem BioAssay data set	ChEMBL

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