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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	AC1NK12E
Molecular formula	C22H24N4O3
IUPAC name	3-[3-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]indol-1-yl]propanenitrile
Molecular weight	392.459
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.1
Synonyms	AKOS033304345 SMR000376599 3-[3-(2-{8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetyl)-1H-indol-1-yl]propanenitrile HMS2763P20 AB00646677-06 MolPort-004-071-049 Z13865141 3-[3-[2-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetyl]indol-1-yl]propanenitrile MCULE-9318820546 NCGC00301633-01 CHEMBL1608429 ZINC4469304 851271-17-5 MLS000772001 [ Show all ]
Inchi Key	AEEXDVWVZHWXIP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N4O3/c1-15-7-9-22(10-8-15)20(28)26(21(29)24-22)14-19(27)17-13-25(12-4-11-23)18-6-3-2-5-16(17)18/h2-3,5-6,13,15H,4,7-10,12,14H2,1H3,(H,24,29)
PubChem CID	4880759
ChEMBL	CHEMBL1608429
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	14125.4 nM	PubChem BioAssay data set	ChEMBL

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