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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	ZINC00147887
Molecular formula	C17H20N2O3S
IUPAC name	4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide
Molecular weight	332.418
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.9
Synonyms	AC1Q2TEP SMR000456199 HMS2782M23 4-ethyl-N-{4-methyl-3-[(methylsulfonyl)amino]phenyl}benzamide MolPort-001-807-436 4-ethyl-N-(3-methanesulfonamido-4-methylphenyl)benzamide MCULE-3833918167 AC1MDI6Y Oprea1_407858 CHEMBL1393360 ZINC147887 4-ethyl-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide MLS000850181 [ Show all ]
Inchi Key	AIEDEKXZCDTGDZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N2O3S/c1-4-13-6-8-14(9-7-13)17(20)18-15-10-5-12(2)16(11-15)19-23(3,21)22/h5-11,19H,4H2,1-3H3,(H,18,20)
PubChem CID	2811608
ChEMBL	CHEMBL1393360
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	14125.4 nM	PubChem BioAssay data set	ChEMBL

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