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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	NSC623637
Molecular formula	C19H16O5
IUPAC name	methyl 2-[(6-methyl-2-oxochromen-4-yl)methoxy]benzoate
Molecular weight	324.332
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.1
Synonyms	AC1Q5ZOX methyl 2-[(6-methyl-2-oxo-chromen-4-yl)methoxy]benzoate ZINC1617300 CCG-35633 NCI60_007008 CTK6J0746 Benzoic acid, [(6-methyl-2-oxo-2H-benzopyran- 4-yl)methoxy]-, methyl ester methyl 2-[(6-methyl-2-oxochromen-4-yl)methoxy]benzoate NCIMech_000528 AC1L7HMN Methyl 2-((6-methyl-2-oxo-2H-chromen-4-yl)methoxy)benzoate SMR002048765 Benzoic acid, [(6-methyl-2-oxo-2H-benzopyran-4-yl)methoxy]-, methyl ester MLS003373977 CHEMBL1881494 NSC-623637 [ Show all ]
Inchi Key	AEWJHLXXHVQICB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16O5/c1-12-7-8-17-15(9-12)13(10-18(20)24-17)11-23-16-6-4-3-5-14(16)19(21)22-2/h3-10H,11H2,1-2H3
PubChem CID	360923
ChEMBL	CHEMBL1881494
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	125892.0 nM	PubChem BioAssay data set	ChEMBL

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