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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	AC1M7D1M
Molecular formula	C23H30N2O3
IUPAC name	2-(2-benzylphenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
Molecular weight	382.504
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.4
Synonyms	HMS2700P23 794569-95-2 SMR000376326 CHEMBL1464909 2-(2-benzylphenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide MCULE-5449617892 Z27510754 HMS1773D16 2-(2-benzylphenoxy)-N-[2-methyl-2-(morpholin-4-yl)propyl]acetamide MLS000807236 ZINC25747686 [ Show all ]
Inchi Key	ABEICNDNLBOHDZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H30N2O3/c1-23(2,25-12-14-27-15-13-25)18-24-22(26)17-28-21-11-7-6-10-20(21)16-19-8-4-3-5-9-19/h3-11H,12-18H2,1-2H3,(H,24,26)
PubChem CID	2439847
ChEMBL	CHEMBL1464909
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	39810.7 nM	PubChem BioAssay data set	ChEMBL

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