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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	AC1NWZI7
Molecular formula	C17H8F4N2OS
IUPAC name	(Z)-3-(2-fluorophenyl)-3-hydroxy-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile
Molecular weight	364.318
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.6
Synonyms	MolPort-000-290-158 AKOS002797782 ZINC101018204 HMS2680P07 3-(2-fluorophenyl)-3-hydroxy-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acrylonitrile AC1NZT98 REGID_for_CID_5941733 (2E)-3-(2-fluorophenyl)-3-oxo-2-[5-(trifluoromethyl)-3H-1,3-benzothiazol-2-ylidene]propanenitrile MLS000663548 3-(2-fluorophenyl)-3-oxo-2-[5-(trifluoromethyl)-3H-1,3-benzothiazol-2-ylidene]propanenitrile AC1OAT1V SMR000294097 CHEMBL1471652 (2Z)-3-(2-fluorophenyl)-3-oxo-2-[5-(trifluoromethyl)-3H-1,3-benzothiazol-2-ylidene]propanenitrile [ Show all ]
Inchi Key	AAIFGBMIUDGWIE-PTNGSMBKSA-N
Inchi ID	InChI=1S/C17H8F4N2OS/c18-12-4-2-1-3-10(12)15(24)11(8-22)16-23-13-7-9(17(19,20)21)5-6-14(13)25-16/h1-7,24H/b15-11-
PubChem CID	2955100
ChEMBL	CHEMBL1471652
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	39810.7 nM	PubChem BioAssay data set	ChEMBL

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