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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.
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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	MLS001223940
Molecular formula	C18H21FN2S
IUPAC name	1-[1-(2,4-dimethylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea
Molecular weight	316.438
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.2
Synonyms	1-[1-(2,4-dimethylphenyl)ethyl]-3-(4-fluorobenzyl)thiourea MolPort-008-307-760 STK493859 MCULE-3842814387 AKOS003345641 SMR000678366 CHEMBL1383859 {[(2,4-dimethylphenyl)ethyl]amino}{[(4-fluorophenyl)methyl]amino}methane-1-thi one AKOS022156752 ST50838635 HMS2974M06 [ Show all ]
Inchi Key	ARIGVURYRMAIFM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21FN2S/c1-12-4-9-17(13(2)10-12)14(3)21-18(22)20-11-15-5-7-16(19)8-6-15/h4-10,14H,11H2,1-3H3,(H2,20,21,22)
PubChem CID	17263474
ChEMBL	CHEMBL1383859
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	112202.0 nM	PubChem BioAssay data set	ChEMBL

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