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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	BAS 07119486
Molecular formula	C14H11ClN2O3
IUPAC name	N-(5-chloropyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Molecular weight	290.703
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.5
Synonyms	CHEMBL1576630 N-(5-chloro-2-pyridyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide 2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (5-chloro-pyridin-2-yl)-amide MCULE-2177767444 SMR000278760 AKOS000510741 BDBM79719 N-(5-chloranylpyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide cid_3155499 N-(5-chloropyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide 799263-65-3 MLS000856815 STK824708 AKOS017119305 N-(5-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide HMS2675B10 N-(5-chloropyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide AC1MKDFB MolPort-002-008-560 [ Show all ]
Inchi Key	AHPDUNOUPJAHEV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H11ClN2O3/c15-9-5-6-13(16-7-9)17-14(18)12-8-19-10-3-1-2-4-11(10)20-12/h1-7,12H,8H2,(H,16,17,18)
PubChem CID	3155499
ChEMBL	CHEMBL1576630
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	19952.6 nM	PubChem BioAssay data set	ChEMBL

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