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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	MLS001043278
Molecular formula	C25H14O7
IUPAC name	(7R)-10-hydroxy-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
Molecular weight	426.38
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.6
Synonyms	30301-41-8 (7R)-10-hydroxy-7-(2-hydroxy-4-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one C25H14O7 ZINC15952310 (R)-10-hydroxy-7-(4-hydroxy-2-oxo-2H-chromen-3-yl)chromeno[4,3-b]chromen-6(7H)-one cid_16745841 (7R)-10-hydroxy-7-(2-hydroxy-4-keto-chromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one AKOS032394822 MolPort-002-640-327 (7R)-10-hydroxy-7-(4-hydroxy-2-keto-chromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one 10-Hydroxy-7-(4-hydroxy-2-oxo-2H-chromen-3-yl)-7H-chromeno[4,3-b]chromen-6-one HMS2765E11 (7R)-10-hydroxy-7-(2-hydroxy-4-oxo-1-benzopyran-3-yl)-7H-[1]benzopyrano[3,2-c][1]benzopyran-6-one BDBM66067 SMR000415059 (7R)-10-oxidanyl-7-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one CHEMBL1532491 [ Show all ]
Inchi Key	AFUYGYGEPFCEIX-LJQANCHMSA-N
Inchi ID	InChI=1S/C25H14O7/c26-12-9-10-13-18(11-12)30-23-15-6-2-4-8-17(15)32-25(29)21(23)19(13)20-22(27)14-5-1-3-7-16(14)31-24(20)28/h1-11,19,26-27H/t19-/m1/s1
PubChem CID	54677747
ChEMBL	CHEMBL1532491
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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