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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	N-(4-chlorophenyl)-4-[isopropyl(methyl)amino]piperidine-1-carboxamide
Molecular formula	C16H24ClN3O
IUPAC name	N-(4-chlorophenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
Molecular weight	309.838
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.1
Synonyms	CCG-200291 N-(4-chlorophenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide HMS2452I24 AC1MMAPU MolPort-007-931-373 SMR000031782 MCULE-3200139032 AKOS002111035 CHEMBL1718843 ZINC260985 MLS000046173 [ Show all ]
Inchi Key	AGKDURZPYPVHHA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H24ClN3O/c1-12(2)19(3)15-8-10-20(11-9-15)16(21)18-14-6-4-13(17)5-7-14/h4-7,12,15H,8-11H2,1-3H3,(H,18,21)
PubChem CID	3235800
ChEMBL	CHEMBL1718843
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	223.9 nM	PubChem BioAssay data set	ChEMBL

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