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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	MLS002701634
Molecular formula	C20H12O3
IUPAC name	4-(2-hydroxynaphthalen-1-yl)naphthalene-1,2-dione
Molecular weight	300.313
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.6
Synonyms	SMR001565235 4-(2-hydroxynaphthalen-1-yl)naphthalene-1,2-dione CB02984 MLS-0440187.0001 SR-01000197677-1 AB00074882-01 CHEMBL1721095 NCI60_009373 4-(2-hydroxy-1-naphthyl)-1,2-naphthoquinone BDBM80753 EU-0033338 NSC102539 SMSF0004113 4-(2-oxidanylnaphthalen-1-yl)naphthalene-1,2-dione CBMicro_013403 ZINC1674769 2'-hydroxy-1,1'-binaphthalene-3,4-dione AC1L6EYQ cid_265898 NSC-102539 4-(2-hydroxy-1-naphthyl)naphthalene-1,2-dione BIM-0013151.P001 MCULE-4725065735 NSC628930 SR-01000197677 MolPort-002-134-455 [1,1'-Binaphthalene]-3,4-dione, 2'-hydroxy- 4-(2-hydroxy-1-naphthalenyl)naphthalene-1,2-dione AKOS001582520 CTK7H0699 NSC-628930 [ Show all ]
Inchi Key	CEFYNLRCBQRIBG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H12O3/c21-17-10-9-12-5-1-2-6-13(12)19(17)16-11-18(22)20(23)15-8-4-3-7-14(15)16/h1-11,21H
PubChem CID	265898
ChEMBL	CHEMBL1721095
IUPHAR	N/A
BindingDB	80753
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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