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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	3-ethoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
Molecular formula	C17H18N2O2S
IUPAC name	3-ethoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
Molecular weight	314.403
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.2
Synonyms	3-ethoxy-N-(m-tolylthiocarbamoyl)benzamide BDBM43874 Oprea1_149532 3-ethoxy-N-{[(3-methylphenyl)amino]carbonothioyl}benzamide cid_883436 ZINC454876 AC1LH8KR MLS000680841 3-ethoxy-N-[(3-methylanilino)-sulfanylidenemethyl]benzamide SMR000269500 HMS2576E11 AKOS003220660 MolPort-002-207-787 CHEMBL1535150 STK059197 AB00110106-01 MCULE-3169835534 [ Show all ]
Inchi Key	HCAUFUQQPBGKTA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N2O2S/c1-3-21-15-9-5-7-13(11-15)16(20)19-17(22)18-14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3,(H2,18,19,20,22)
PubChem CID	883436
ChEMBL	CHEMBL1535150
IUPHAR	N/A
BindingDB	43874
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	28183.8 nM	PubChem BioAssay data set	ChEMBL

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