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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	BAS 03153833
Molecular formula	C18H13ClF3N3O3S
IUPAC name	N-(3-chloro-4-methoxyphenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
Molecular weight	443.825
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	4.2
Synonyms	MCULE-3855442274 STK339527 AKOS000557421 N-(3-chloro-4-methoxyphenyl)-2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-ylt hio]acetamide CHEMBL1529077 NCGC00101364-01 MolPort-001-988-912 ZINC902026 N-(3-chloro-4-methoxyphenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide HMS1804D07 ST50270372 AC1LMCW0 N-(3-Chloro-4-methoxy-phenyl)-2-(4-furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsu N-(3-chloro-4-methoxyphenyl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide [ Show all ]
Inchi Key	ACADGQGWXOGEKX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13ClF3N3O3S/c1-27-13-5-4-10(7-11(13)19)23-16(26)9-29-17-24-12(14-3-2-6-28-14)8-15(25-17)18(20,21)22/h2-8H,9H2,1H3,(H,23,26)
PubChem CID	1152613
ChEMBL	CHEMBL1529077
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	31622.8 nM	PubChem BioAssay data set	ChEMBL

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