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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	MLS001122797
Molecular formula	C23H26ClN3O4S
IUPAC name	1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide
Molecular weight	475.988
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.9
Synonyms	AKOS021595074 MLS003880946 CHEMBL1421589 SMR000628395 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide MCULE-4951017914 BDBM80041 MolPort-007-742-787 cid_20901955 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)-3-piperidinecarboxamide AKOS001932225 N-(3-chlorophenyl)-1-[(1-ethanoyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxamide 1-(1-acetyl-2-methyl-indolin-5-yl)sulfonyl-N-(3-chlorophenyl)nipecotamide 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide HMS2928F05 [ Show all ]
Inchi Key	HUAWISZIUATZGS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26ClN3O4S/c1-15-11-18-12-21(8-9-22(18)27(15)16(2)28)32(30,31)26-10-4-5-17(14-26)23(29)25-20-7-3-6-19(24)13-20/h3,6-9,12-13,15,17H,4-5,10-11,14H2,1-2H3,(H,25,29)
PubChem CID	20901955
ChEMBL	CHEMBL1421589
IUPHAR	N/A
BindingDB	80041
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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