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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	SMR000079608
Molecular formula	C18H19ClN2O6S
IUPAC name	N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
Molecular weight	426.868
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.0
Synonyms	N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide AC1M4243 SR-01000288540 HMS2302I10 MLS002547643 N-1,3-benzodioxol-5-yl-2-{2-chloro-4-[(isopropylamino)sulfonyl]phenoxy}acetamide SR-01000288540-1 MCULE-9809992061 MolPort-002-283-712 CHEMBL1409422 ZINC2871241 MLS000051415 [ Show all ]
Inchi Key	ADUBNERKVPXFIG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19ClN2O6S/c1-11(2)21-28(23,24)13-4-6-15(14(19)8-13)25-9-18(22)20-12-3-5-16-17(7-12)27-10-26-16/h3-8,11,21H,9-10H2,1-2H3,(H,20,22)
PubChem CID	2223900
ChEMBL	CHEMBL1409422
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	50118.7 nM	PubChem BioAssay data set	ChEMBL

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