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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	MLS000096632
Molecular formula	C16H18N2O5S
IUPAC name	ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate
Molecular weight	350.389
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.6
Synonyms	SMR000073796 BAS 06188254 ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]ethanoate 2-[4-(4-pyridylmethylsulfamoyl)phenoxy]acetic acid ethyl ester CHEMBL1382898 MCULE-8143442187 MolPort-002-003-770 AC1LLE85 ethyl (4-{[(4-pyridinylmethyl)amino]sulfonyl}phenoxy)acetate ZINC798692 BDBM42040 HMS1374K04 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid ethyl ester ChemDiv2_001984 regid4264959 AKOS000603061 ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate {4-[(Pyridin-4-ylmethyl)-sulfamoyl]-phenoxy}-acetic acid ethyl ester HMS2502J04 MLS002541912 cid_1082996 [ Show all ]
Inchi Key	INMOBAGWVIAPNU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N2O5S/c1-2-22-16(19)12-23-14-3-5-15(6-4-14)24(20,21)18-11-13-7-9-17-10-8-13/h3-10,18H,2,11-12H2,1H3
PubChem CID	1082996
ChEMBL	CHEMBL1382898
IUPHAR	N/A
BindingDB	42040
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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