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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	N1,N2-Di(pyridin-2-yl)oxalamide
Molecular formula	C12H10N4O2
IUPAC name	N,N'-dipyridin-2-yloxamide
Molecular weight	242.238
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	0.9
Synonyms	172B978 BDBM69226 MCULE-5857779135 N,N'-BIS(2-PYRIDYL)OXALAMIDE N-(2-pyridyl)-N'-(2-pyridyl)ethane-1,2-diamide AC1LYL8K CHEMBL1448851 N(1),N(2)-di(2-pyridinyl)ethanediamide N,N'-Di(2-pyridyl)oxamide ST043391 AX8280534 DTXSID30365654 N,N''-dipyridin-2-ylethanediamide N,N'-Di-pyridin-2-yl-oxalamide ZINC15909496 20172-97-8 Cambridge id 5633366 MLS000766036 N,N'-bis(alpha-pyridyl)oxamine AJ-67989 cid_1927420 N,N''-bis(2-pyridinyl)oxamide N,N'-di(pyridin-2-yl)ethanediamide STK082040 BAS 01936173 HMS2769L11 N,N''-dipyridin-2-yloxamide N,N'-dipyridin-2-yloxamide AB00091333-01 MolPort-001-890-829 N,N'-BIS(PYRIDIN-2-YL)ETHANEDIAMIDE SMR000279742 AKOS000644477 CTK0J9595 N,N''-bis(2-pyridyl)oxamide N,N'-Di-(2-pyridinyl)oxamide Z56871982 [ Show all ]
Inchi Key	AEGDXMYEDPEYCG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H10N4O2/c17-11(15-9-5-1-3-7-13-9)12(18)16-10-6-2-4-8-14-10/h1-8H,(H,13,15,17)(H,14,16,18)
PubChem CID	1927420
ChEMBL	CHEMBL1448851
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	89125.1 nM	PubChem BioAssay data set	ChEMBL

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