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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	CHEMBL1394849
Molecular formula	C23H28N2O3S
IUPAC name	N-butyl-1-(cyclopropanecarbonyl)-2-methyl-N-phenyl-2,3-dihydroindole-5-sulfonamide
Molecular weight	412.548
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.2
Synonyms	MCULE-4577868533 NCGC00122922-01 CCG-77935 E570-0169 MolPort-007-742-514 AKOS001933035 HMS1865N14 N-butyl-1-(cyclopropylcarbonyl)-2-methyl-N-phenylindoline-5-sulfonamide AKOS021615669 [ Show all ]
Inchi Key	AEZOGUHYMMCTCO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28N2O3S/c1-3-4-14-24(20-8-6-5-7-9-20)29(27,28)21-12-13-22-19(16-21)15-17(2)25(22)23(26)18-10-11-18/h5-9,12-13,16-18H,3-4,10-11,14-15H2,1-2H3
PubChem CID	16019472
ChEMBL	CHEMBL1394849
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	100000.0 nM	PubChem BioAssay data set	ChEMBL

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