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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	AC1NC5YE
Molecular formula	C17H25ClN2O5S
IUPAC name	2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide
Molecular weight	404.906
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.4
Synonyms	HMS2695B17 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide AB00605979-06 MolPort-004-045-946 MCULE-4061946000 2-[2-chloro-4-(morpholine-4-sulfonyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide SMR000371379 CHEMBL1369110 MLS000776358 757208-28-9 AKOS033643439 Z18805217 [ Show all ]
Inchi Key	ADRJEFWJWGCEBF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H25ClN2O5S/c1-12(2)13(3)19-17(21)11-25-16-5-4-14(10-15(16)18)26(22,23)20-6-8-24-9-7-20/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,21)
PubChem CID	4553739
ChEMBL	CHEMBL1369110
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	22387.2 nM	PubChem BioAssay data set	ChEMBL

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