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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	AC1NOABT
Molecular formula	C20H28N2O3
IUPAC name	4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
Molecular weight	344.455
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.1
Synonyms	4-[(3,5-dimethylpiperidin-1-yl)carbonyl]-1-(4-methoxybenzyl)pyrrolidin-2-one MLS001030857 SR-01000161377-1 HMS2942G03 SMR000634999 CHEMBL1887561 4-(3,5-dimethylpiperidine-1-carbonyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one MCULE-7127186331 AKOS002132718 SR-01000161377 EU-0064688 [ Show all ]
Inchi Key	AFWUPSQHQFQRQQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H28N2O3/c1-14-8-15(2)11-22(10-14)20(24)17-9-19(23)21(13-17)12-16-4-6-18(25-3)7-5-16/h4-7,14-15,17H,8-13H2,1-3H3
PubChem CID	5084933
ChEMBL	CHEMBL1887561
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	31622.8 nM	PubChem BioAssay data set	ChEMBL

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