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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	1-[4-(4-benzylpiperazin-1-yl)-6-methyl-1-phenyl-2-thioxo-1,2-dihydropyrimidin-5-yl]ethanone
Molecular formula	C24H26N4OS
IUPAC name	1-[4-(4-benzylpiperazin-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone
Molecular weight	418.559
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.2
Synonyms	CHEMBL1328236 MLS000727769 AKOS001681389 STK325061 HMS2676L05 AB00098154-01 MolPort-003-002-927 ZINC55450408 1-[4-(4-benzylpiperazin-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone MCULE-6849074256 AC1NPSE8 SMR000306466 [ Show all ]
Inchi Key	AHMLOLDNWKPJLS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26N4OS/c1-18-22(19(2)29)23(25-24(30)28(18)21-11-7-4-8-12-21)27-15-13-26(14-16-27)17-20-9-5-3-6-10-20/h3-12H,13-17H2,1-2H3
PubChem CID	5184323
ChEMBL	CHEMBL1328236
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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