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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	N-Cyclopentyl-2-(3-ethyl-6-methyl-quinolin-2-ylsulfanyl)-acetamide
Molecular formula	C19H24N2OS
IUPAC name	N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide
Molecular weight	328.474
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.8
Synonyms	ASN 05546844 ZINC4849318 HMS2916P17 AC1MKPZ2 N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide MLS001220400 AKOS000683682 SMR000600891 CHEMBL1323498 [ Show all ]
Inchi Key	ABXDNAIJMIBLMB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N2OS/c1-3-14-11-15-10-13(2)8-9-17(15)21-19(14)23-12-18(22)20-16-6-4-5-7-16/h8-11,16H,3-7,12H2,1-2H3,(H,20,22)
PubChem CID	3207992
ChEMBL	CHEMBL1323498
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	44668.4 nM	PubChem BioAssay data set	ChEMBL

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