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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	MLS001097046
Molecular formula	C17H23N3O4S2
IUPAC name	1-[1-(benzenesulfonyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-methylpiperidine
Molecular weight	397.508
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.7
Synonyms	MCULE-6537243484 AKOS002051816 NCGC00133016-01 CHEMBL1705219 HMS2934M08 ZINC8611208 1-{[3,5-dimethyl-1-(phenylsulfonyl)-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine CCG-91184 SMR000633826 G680-0517 HMS3516K13 956447-96-4 MolPort-005-778-311 Z237523212 1-{[1-(benzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-methylpiperidine HMS1894O06 [ Show all ]
Inchi Key	ACXWEJAZUTXOJU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H23N3O4S2/c1-13-9-11-19(12-10-13)26(23,24)17-14(2)18-20(15(17)3)25(21,22)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3
PubChem CID	16029679
ChEMBL	CHEMBL1705219
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	141254.0 nM	PubChem BioAssay data set	ChEMBL

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