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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	MLS000581736
Molecular formula	C22H19NO3S
IUPAC name	N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)sulfanylacetamide
Molecular weight	377.458
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.4
Synonyms	MCULE-6051268410 N-(2-methoxydibenzo[b,d]furan-3-yl)-2-[(4-methylphenyl)thio]acetamide BDBM61045 N-(2-methoxy-3-dibenzofuranyl)-2-[(4-methylphenyl)thio]acetamide ZINC4722454 cid_2964873 N-(2-methoxydibenzofuran-3-yl)-2-(p-tolylthio)acetamide AC1MGQ0M SMR000200668 N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)sulfanyl-ethanamide HMS2451A10 N-(2-methoxydibenzo[b,d]furan-3-yl)-2-[(4-methylphenyl)sulfanyl]acetamide AKOS003334452 MolPort-002-280-385 STK182158 CHEMBL1417504 N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)sulfanylacetamide [ Show all ]
Inchi Key	BMVOFCHZCWDERB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H19NO3S/c1-14-7-9-15(10-8-14)27-13-22(24)23-18-12-20-17(11-21(18)25-2)16-5-3-4-6-19(16)26-20/h3-12H,13H2,1-2H3,(H,23,24)
PubChem CID	2964873
ChEMBL	CHEMBL1417504
IUPHAR	N/A
BindingDB	61045
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	7943.3 nM	PubChem BioAssay data set	ChEMBL

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