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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.
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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	MLS000714665
Molecular formula	C17H19NO4S2
IUPAC name	(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular weight	365.462
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one HMS2699B15 BAS 00634568 SR-01000317233 (5E)-5-(3-ethoxy-4-hydroxy-benzylidene)-3-(tetrahydrofurfuryl)-2-thioxo-thiazolidin-4-one CHEMBL1304807 (5E)-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one BDBM72494 SR-01000317233-1 (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(2-oxolanylmethyl)-2-sulfanylidene-4-thiazolidinone cid_5758848 AC1NXS8C SMR000274644 [ Show all ]
Inchi Key	CBGQEKXIRAJAAT-OQLLNIDSSA-N
Inchi ID	InChI=1S/C17H19NO4S2/c1-2-21-14-8-11(5-6-13(14)19)9-15-16(20)18(17(23)24-15)10-12-4-3-7-22-12/h5-6,8-9,12,19H,2-4,7,10H2,1H3/b15-9+
PubChem CID	5758848
ChEMBL	CHEMBL1304807
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	19952.6 nM	PubChem BioAssay data set	ChEMBL

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