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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-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Molecular formula	C20H14N2O5
IUPAC name	7-(3-methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Molecular weight	362.341
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.1
Synonyms	SCHEMBL13402165 ZINC1097316 SR-01000532504 1-(3-methylphenoxy)-3-nitro-10H-dibenzo[b,f]1,4-oxazepin-11-one HMS2542M17 MolPort-002-709-851 STK764518 AC1LP1OV SCHEMBL13436777 CHEMBL1320080 SR-01000532504-1 MCULE-2683911348 Oprea1_112738 ZERO/003125 AKOS001740853 SMR000204450 EU-0052745 MLS000586087 ST049829 7-(3-methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one [ Show all ]
Inchi Key	ADNJZULYIZTTIO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H14N2O5/c1-12-5-4-6-14(9-12)26-17-10-13(22(24)25)11-18-19(17)20(23)21-15-7-2-3-8-16(15)27-18/h2-11H,1H3,(H,21,23)
PubChem CID	1279155
ChEMBL	CHEMBL1320080
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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