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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	CHEMBL1395306
Molecular formula	C20H18N4O2S2
IUPAC name	N-(1,3-benzothiazol-2-yl)-2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide
Molecular weight	410.51
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.3
Synonyms	NCGC00132237-01 MCULE-5272527304 ZINC8609780 AKOS002065405 G621-0190 N-1,3-benzothiazol-2-yl-2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]thio}acetamide HMS1892D01 [ Show all ]
Inchi Key	AGQGBFBQNGEELU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N4O2S2/c25-12-15-10-21-20(24(15)11-14-6-2-1-3-7-14)27-13-18(26)23-19-22-16-8-4-5-9-17(16)28-19/h1-10,25H,11-13H2,(H,22,23,26)
PubChem CID	16028976
ChEMBL	CHEMBL1395306
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	141254.0 nM	PubChem BioAssay data set	ChEMBL

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