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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	MLS001177120
Molecular formula	C22H27N3O6S
IUPAC name	4-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxypropoxy]benzonitrile
Molecular weight	461.533
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	1.6
Synonyms	AKOS001285937 SMR000595686 CHEMBL1735811 924421-90-9 AKOS016888998 Z92745134 HMS2919O24 AB00840385-06 MolPort-004-521-102 4-{3-[4-(2,5-dimethoxybenzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy}benzonitrile MCULE-9763769375 [ Show all ]
Inchi Key	ADWBDKJVZCLRJL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27N3O6S/c1-29-20-7-8-21(30-2)22(13-20)32(27,28)25-11-9-24(10-12-25)15-18(26)16-31-19-5-3-17(14-23)4-6-19/h3-8,13,18,26H,9-12,15-16H2,1-2H3
PubChem CID	16319788
ChEMBL	CHEMBL1735811
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	50118.7 nM	PubChem BioAssay data set	ChEMBL

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