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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	SMR000207446
Molecular formula	C25H21N3O6
IUPAC name	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
Molecular weight	459.458
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.7
Synonyms	MolPort-007-553-043 AKOS001595201 MLS000585464 N-((E)-2-(1,3-benzodioxol-5-yl)-1-{[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazino]carbonyl}vinyl)benzamide STK513828 MLS003878297 N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide CHEMBL3199768 [ Show all ]
Inchi Key	ABURDUMLEUCKOY-LABBUYSVSA-N
Inchi ID	InChI=1S/C25H21N3O6/c1-32-22-13-17(7-9-20(22)29)14-26-28-25(31)19(27-24(30)18-5-3-2-4-6-18)11-16-8-10-21-23(12-16)34-15-33-21/h2-14,29H,15H2,1H3,(H,27,30)(H,28,31)/b19-11+,26-14+
PubChem CID	135497987
ChEMBL	CHEMBL3199768
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	125892.0 nM	PubChem BioAssay data set	ChEMBL

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