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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	CHEMBL1328077
Molecular formula	C24H25N3O2S
IUPAC name	N-[2-(4-methylsulfanylphenyl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
Molecular weight	419.543
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	MCULE-3562219333 AKOS001559638 NCGC00121560-01 E228-1471 MolPort-007-729-317 ZINC8588538 HMS1861L15 N-{2-[4-(methylthio)phenyl]ethyl}-4-(4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide [ Show all ]
Inchi Key	AEAQKTAUEMPISV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H25N3O2S/c1-30-19-12-10-18(11-13-19)14-15-25-23(28)9-5-17-27-21-7-3-2-6-20(21)26-16-4-8-22(26)24(27)29/h2-4,6-8,10-13,16H,5,9,14-15,17H2,1H3,(H,25,28)
PubChem CID	16018192
ChEMBL	CHEMBL1328077
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	44668.4 nM	PubChem BioAssay data set	ChEMBL

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