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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	NSC660296
Molecular formula	C17H16O2
IUPAC name	(E)-3-(4-ethoxyphenyl)-1-phenylprop-2-en-1-one
Molecular weight	252.313
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.4
Synonyms	(E)-4-Ethoxychalcone SCHEMBL11776503 4-Ethyloxychalcone J3.513.712B (E)-3-(4-ethoxyphenyl)-1-phenyl-prop-2-en-1-one AC1Q5EX5 NSC-660296 3-(4-Ethoxyphenyl)-1-phenyl-2-propen-1-one CHEMBL3198539 SMR000529102 ABJALCOAMMGTJD-JLHYYAGUSA-N MLS000756693 (E)-3-(4-ethoxyphenyl)-1-phenylprop-2-en-1-one AKOS005154545 32111-71-0 HMS2886O13 ZINC4947807 AC1NX0C1 MolPort-001-818-530 [ Show all ]
Inchi Key	ABJALCOAMMGTJD-JLHYYAGUSA-N
Inchi ID	InChI=1S/C17H16O2/c1-2-19-16-11-8-14(9-12-16)10-13-17(18)15-6-4-3-5-7-15/h3-13H,2H2,1H3/b13-10+
PubChem CID	5717021
ChEMBL	CHEMBL3198539
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	5011.9 nM	PubChem BioAssay data set	ChEMBL

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