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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-cyclohexyl-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Molecular formula	C15H21N5O3
IUPAC name	N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Molecular weight	319.365
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	0.8
Synonyms	41838-16-8 MLS001079022 SCHEMBL10279695 BAS 01129982 N-Cyclohexyl-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetamide SR-01000432240-1 HMS2969B11 Oprea1_102300 Z19358327 AC1LFBKM MolPort-000-804-699 SMR000711000 N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide ST50719036 2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))-N-cyclohexylacetamide MCULE-4973234518 Oprea1_402681 ZINC263593 AKOS000677429 SR-01000432240 CHEMBL1541812 N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide STK090688 [ Show all ]
Inchi Key	FQXXUVFUWQGLPR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H21N5O3/c1-18-13-12(14(22)19(2)15(18)23)20(9-16-13)8-11(21)17-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,17,21)
PubChem CID	775376
ChEMBL	CHEMBL1541812
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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