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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	4-(2,3-Dimethyl-phenyl)-piperazine-1-carbothioic acid (2-methoxy-phenyl)-amide
Molecular formula	C20H25N3OS
IUPAC name	4-(2,3-dimethylphenyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide
Molecular weight	355.5
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.0
Synonyms	HMS2833H06 AC1LRWD0 Oprea1_424055 MCULE-2101263219 AKOS000705260 SMR000503537 CHEMBL1387054 4-(2,3-dimethylphenyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide MLS001203371 ASN 04887383 ZINC1325670 [ Show all ]
Inchi Key	AHRVABCWBXYVJE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25N3OS/c1-15-7-6-9-18(16(15)2)22-11-13-23(14-12-22)20(25)21-17-8-4-5-10-19(17)24-3/h4-10H,11-14H2,1-3H3,(H,21,25)
PubChem CID	1429165
ChEMBL	CHEMBL1387054
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	50118.7 nM	PubChem BioAssay data set	ChEMBL

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