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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	SMR000633928
Molecular formula	C25H31N3O5S
IUPAC name	1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
Molecular weight	485.599
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.5
Synonyms	MolPort-007-888-697 HMS1900L22 AKOS002042517 MLS001096966 CHEMBL1453435 NCGC00135365-01 HMS2932N10 AKOS021596753 MLS003881600 G855-0970 1-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide MCULE-2754316170 [ Show all ]
Inchi Key	AAZSZTYKLFZUOO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H31N3O5S/c1-17-8-11-24(33-3)22(14-17)26-25(30)20-7-4-12-27(16-20)34(31,32)21-9-10-23-19(15-21)6-5-13-28(23)18(2)29/h8-11,14-15,20H,4-7,12-13,16H2,1-3H3,(H,26,30)
PubChem CID	16031780
ChEMBL	CHEMBL1453435
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	125892.0 nM	PubChem BioAssay data set	ChEMBL

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