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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	CHEMBL1734260
Molecular formula	C26H29N3O5S
IUPAC name	methyl 2-[[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]amino]benzoate
Molecular weight	495.594
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.8
Synonyms	AKOS002025976 NCGC00129264-01 G207-1594 methyl 2-[({1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxidoisothiazol-3-yl]piperidin-4-yl}carbonyl)amino]benzoate ZINC8603709 HMS1883E14 MolPort-007-831-367 MCULE-3737392835 [ Show all ]
Inchi Key	AGVNIWOMZLFSQS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H29N3O5S/c1-4-20-23(18-11-9-17(2)10-12-18)35(32,33)28-24(20)29-15-13-19(14-16-29)25(30)27-22-8-6-5-7-21(22)26(31)34-3/h5-12,19H,4,13-16H2,1-3H3,(H,27,30)
PubChem CID	16026196
ChEMBL	CHEMBL1734260
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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