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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	1-{3-[(4-phenylpiperazin-1-yl)carbonyl]phenyl}pyrrolidin-2-one
Molecular formula	C21H23N3O2
IUPAC name	1-[3-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one
Molecular weight	349.434
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.4
Synonyms	1-[3-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one MCULE-7170372681 AKOS002109104 MolPort-007-940-699 EU-0098254 SR-01000095353-1 MLS000046769 SMR000032780 HMS2175L06 ZINC221220 AC1MMS5F MLS002589168 CHEMBL1734240 SR-01000095353 [ Show all ]
Inchi Key	AFYKKBVSFLZFCJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23N3O2/c25-20-10-5-11-24(20)19-9-4-6-17(16-19)21(26)23-14-12-22(13-15-23)18-7-2-1-3-8-18/h1-4,6-9,16H,5,10-15H2
PubChem CID	3243574
ChEMBL	CHEMBL1734240
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	17782.8 nM	PubChem BioAssay data set	ChEMBL

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