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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	SMR000221748
Molecular formula	C17H10BrF3N4OS2
IUPAC name	N-(5-bromo-1,3-benzothiazol-2-yl)-2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide
Molecular weight	487.313
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	5.1
Synonyms	N-(5-bromo-1,3-benzothiazol-2-yl)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]acetamide HMS2598G05 AC1M00FY N-(5-bromo-1,3-benzothiazol-2-yl)-2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide CHEMBL1575184 N-(5-Bromo-benzothiazol-2-yl)-2-(3-cyano-6-methyl-4-trifluoromethyl-pyridin-2-ylsulfanyl)-acetamide MLS000332534 BDBM57586 N-(5-bromo-1,3-benzothiazol-2-yl)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetamide cid_1963338 SCHEMBL10016420 N-(5-bromanyl-1,3-benzothiazol-2-yl)-2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide [ Show all ]
Inchi Key	ACZKNIMYPNWZEC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H10BrF3N4OS2/c1-8-4-11(17(19,20)21)10(6-22)15(23-8)27-7-14(26)25-16-24-12-5-9(18)2-3-13(12)28-16/h2-5H,7H2,1H3,(H,24,25,26)
PubChem CID	1963338
ChEMBL	CHEMBL1575184
IUPHAR	N/A
BindingDB	N/A
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	35481.3 nM	PubChem BioAssay data set	ChEMBL

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