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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	MLS001110800
Molecular formula	C18H24N2O4S3
IUPAC name	2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-5-(3-methylpiperidin-1-yl)-1,3-thiazole
Molecular weight	428.58
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.1
Synonyms	AKOS022047188 SMR000624779 CHEMBL1352718 1-{2-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}-3-methylpiperidine CCG-140230 HMS2935L03 AKOS001867540 MolPort-003-048-584 MCULE-4075915259 [ Show all ]
Inchi Key	AHWUCUXEJAOVTI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H24N2O4S3/c1-4-26(21,22)18-19-16(17(25-18)20-11-5-6-14(3)12-20)27(23,24)15-9-7-13(2)8-10-15/h7-10,14H,4-6,11-12H2,1-3H3
PubChem CID	20888743
ChEMBL	CHEMBL1352718
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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