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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	SMR000628313
Molecular formula	C24H29N3O4S
IUPAC name	cyclopropyl-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]methanone
Molecular weight	455.573
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.9
Synonyms	MCULE-8841779492 AKOS001932826 HMS2925N12 MLS001122769 HMS3473C09 1-(cyclopropylcarbonyl)-5-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-2-methylindoline MLS003880910 CHEMBL1585939 [ Show all ]
Inchi Key	ADKGEMATJYFJHH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29N3O4S/c1-17-14-19-15-22(8-9-23(19)27(17)24(28)18-6-7-18)32(29,30)26-12-10-25(11-13-26)20-4-3-5-21(16-20)31-2/h3-5,8-9,15-18H,6-7,10-14H2,1-2H3
PubChem CID	20901625
ChEMBL	CHEMBL1585939
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	3981.1 nM	PubChem BioAssay data set	ChEMBL

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