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GLASS

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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	MLS000723835
Molecular formula	C20H15N3O5S
IUPAC name	(5E)-1-(4-methoxyphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Molecular weight	409.416
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.7
Synonyms	AKOS001625385 MolPort-002-708-401 (5E)-1-(4-methoxyphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione CHEMBL1582121 STK698827 5-[(2E)-3-(2-nitrophenyl)prop-2-enylidene]-1-(4-methoxyphenyl)-2-thioxo-1,3-di hydropyrimidine-4,6-dione MCULE-7795670193 (5E)-1-(4-methoxyphenyl)-5-[(2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione BDBM48874 SMR000305430 (5E)-1-(4-methoxyphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-thioxo-hexahydropyrimidine-4,6-dione cid_2180260 ZINC1197694 AC1M30EE (5E)-1-(4-methoxyphenyl)-5-[(2E)-3-(2-nitrophenyl)prop-2-enylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione ST033749 (5E)-1-(4-methoxyphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone HMS2626K13 [ Show all ]
Inchi Key	HIDMRGKPCRILQV-ANSBUGDOSA-N
Inchi ID	InChI=1S/C20H15N3O5S/c1-28-15-11-9-14(10-12-15)22-19(25)16(18(24)21-20(22)29)7-4-6-13-5-2-3-8-17(13)23(26)27/h2-12H,1H3,(H,21,24,29)/b6-4+,16-7+
PubChem CID	2180260
ChEMBL	CHEMBL1582121
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	70794.6 nM	PubChem BioAssay data set	ChEMBL

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