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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	N-(6-{[(4-chlorophenyl)sulfinyl]methyl}-2-methyl-4-pyrimidinyl)-N-(2,4-dichlorobenzyl)amine
Molecular formula	C19H16Cl3N3OS
IUPAC name	6-[(4-chlorophenyl)sulfinylmethyl]-N-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidin-4-amine
Molecular weight	440.767
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.1
Synonyms	AC1LRYDI MolPort-002-871-783 CHEMBL1583227 SMR000125650 6-[(4-chlorobenzenesulfinyl)methyl]-N-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidin-4-amine MCULE-8406746265 AKOS005095372 338960-33-1 HMS2305E21 6-[(4-chlorophenyl)sulfinylmethyl]-N-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidin-4-amine MLS000540392 Oprea1_184530 5L-309S KS-000039L2 [ Show all ]
Inchi Key	AGAYXIREIJZWSY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16Cl3N3OS/c1-12-24-16(11-27(26)17-6-4-14(20)5-7-17)9-19(25-12)23-10-13-2-3-15(21)8-18(13)22/h2-9H,10-11H2,1H3,(H,23,24,25)
PubChem CID	1479456
ChEMBL	CHEMBL1583227
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	100000.0 nM	PubChem BioAssay data set	ChEMBL

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