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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	CHEMBL1357974
Molecular formula	C20H25N5O2S
IUPAC name	2,5-dimethoxy-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]aniline
Molecular weight	399.513
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.9
Synonyms	MCULE-9564160550 NCGC00127074-01 CCG-88423 E958-1326 MolPort-007-777-179 ZINC8597385 HMS1877F10 N-(2,5-dimethoxyphenyl)-N-{[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2-yl]methyl}amine AKOS001958090 [ Show all ]
Inchi Key	AGEQXXXSKRATSA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25N5O2S/c1-26-16-8-9-18(27-2)17(13-16)21-14-15-7-6-12-25(15)20-23-22-19(28-20)24-10-4-3-5-11-24/h6-9,12-13,21H,3-5,10-11,14H2,1-2H3
PubChem CID	16024052
ChEMBL	CHEMBL1357974
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	8912.5 nM	PubChem BioAssay data set	ChEMBL

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