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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	1-(4-Fluoro-3-methyl-benzenesulfonyl)-4-pyridin-2-yl-piperazine
Molecular formula	C16H18FN3O2S
IUPAC name	1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
Molecular weight	335.397
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.4
Synonyms	1-(4-fluoro-3-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine CHEMBL1508131 AC1O6CHS MLS001203146 ASN 15225364 ST50319189 1-fluoro-2-methyl-4-[(4-(2-pyridyl)piperazinyl)sulfonyl]benzene HMS2833J21 AKOS000602843 MolPort-000-133-162 ZINC36246761 1-[(4-fluoro-3-methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine MCULE-6814502669 AP-263/43505181 SMR000525197 [ Show all ]
Inchi Key	AACALNSOMDQMRY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18FN3O2S/c1-13-12-14(5-6-15(13)17)23(21,22)20-10-8-19(9-11-20)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3
PubChem CID	6472019
ChEMBL	CHEMBL1508131
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	79432.8 nM	PubChem BioAssay data set	ChEMBL

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