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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	CHEMBL1417232
Molecular formula	C19H23ClN6
IUPAC name	5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-7-propyl-[1,2,4]triazolo[4,3-a]pyrimidine
Molecular weight	370.885
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.8
Synonyms	D165-0366 MolPort-007-689-637 HMS1848O03 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-7-propyl[1,2,4]triazolo[4,3-a]pyrimidine NCGC00116779-01 MCULE-2915987589 AKOS001520013 ZINC6743771 [ Show all ]
Inchi Key	AGGUJYWPLIWBRX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23ClN6/c1-3-4-16-12-18(26-13-21-23-19(26)22-16)25-9-7-24(8-10-25)17-11-15(20)6-5-14(17)2/h5-6,11-13H,3-4,7-10H2,1-2H3
PubChem CID	16013908
ChEMBL	CHEMBL1417232
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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