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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	N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Molecular formula	C17H15NO5
IUPAC name	N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Molecular weight	313.309
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.3
Synonyms	2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide Cambridge id 7351216 MolPort-000-198-246 STK826071 AC1Q5OUI CHEMBL1330686 N-(2H-1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide AKOS016065707 MCULE-8105664597 SCHEMBL19828193 616210-80-1 CCG-240590 Z27695826 AF-399/41704034 EU-0055439 N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide BAS 07589401 MLS000529000 SMR000121475 AC1MDHGP N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide AKOS000606737 HMS2329L03 Oprea1_545688 [ Show all ]
Inchi Key	AHFYTKJFWHIEBG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H15NO5/c19-17(16-9-20-12-3-1-2-4-14(12)23-16)18-8-11-5-6-13-15(7-11)22-10-21-13/h1-7,16H,8-10H2,(H,18,19)
PubChem CID	2811292
ChEMBL	CHEMBL1330686
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	44668.4 nM	PubChem BioAssay data set	ChEMBL

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