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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	P2Y purinoceptor 2
Species	Homo sapiens (Human)
Gene	P2RY2
Synonym	Purinergic receptor purinergic receptor P2Y P2Y2 receptor P2Y2 P2Y purinoceptor 2 P2Y ATP receptor 2 P2U1 P2U receptor 1 P2U purinoceptor 1 ATP receptor [ Show all ]
Disease	Dry eye disease Constipation Cystic fibrosis Lung cancer
Length	377
Amino acid sequence	MAADLGPWNDTINGTWDGDELGYRCRFNEDFKYVLLPVSYGVVCVPGLCLNAVALYIFLCRLKTWNASTTYMFHLAVSDALYAASLPLLVYYYARGDHWPFSTVLCKLVRFLFYTNLYCSILFLTCISVHRCLGVLRPLRSLRWGRARYARRVAGAVWVLVLACQAPVLYFVTTSARGGRVTCHDTSAPELFSRFVAYSSVMLGLLFAVPFAVILVCYVLMARRLLKPAYGTSGGLPRAKRKSVRTIAVVLAVFALCFLPFHVTRTLYYSFRSLDLSCHTLNAINMAYKVTRPLASANSCLDPVLYFLAGQRLVRFARDAKPPTGPSPATPARRRLGLRRSDRTDMQRIEDVLGSSEDSRRTESTPAGSENTKDIRL
UniProt	P41231
Protein Data Bank	N/A
GPCR-HGmod model	P41231
3D structure model	This predicted structure model is from GPCR-EXP P41231.
BioLiP	N/A
Therapeutic Target Database	T93515
ChEMBL	CHEMBL4398
IUPHAR	324
DrugBank	BE0002401

Ligand

Name	UNII-344PKU9JSY
Molecular formula	C21H15N2NaO6S
IUPAC name	sodium;1-amino-4-(4-methoxyanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight	446.409
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	None
Synonyms	sodium 1-amino-4-[(4-methoxyphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methoxyphenyl)amino)-9,10-dioxo-, sodium salt (1:1) D06DBA 344PKU9JSY SB-416 Sodium 1-amino-4-p-anisidino-9,10-dihydro-9,10-dioxoanthracene-2-sulfonate 1007600-05-6 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methoxyphenyl)amino]-9,10-dioxo-, monosodium salt DTXSID1041392 1-Amino-2-(sodiooxysulfonyl)-4-(4-methoxyphenylamino)-9,10-anthraquinone 63589-10-6 SCHEMBL3032281 Sodium 1-amino-4-p-anisidino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methoxyphenyl)amino)-9,10-dioxo-, monosodium salt CHEMBL401735 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methoxyphenyl)amino]-9,10-dioxo-, sodium salt (1:1) EINECS 264-344-5 Sodium 1-amino-4-(4-methoxyanilino)anthraquinone-2-sulfonate 1-Amino-9,10-dihydro-4-((4-methoxyphenyl)amino)-9,10-dioxo-2-anthracenesulfonic acid, sodium salt AC1Q1VH1 [ Show all ]
Inchi Key	UKZVMBMYDRZSBX-UHFFFAOYSA-M
Inchi ID	InChI=1S/C21H16N2O6S.Na/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25;/h2-10,23H,22H2,1H3,(H,26,27,28);/q;+1/p-1
PubChem CID	23680506
ChEMBL	CHEMBL401735
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC50	80.4 nM	PMID19419204	ChEMBL
IC50	3440.0 nM	PMID19419204	ChEMBL
IC50	11500.0 nM	PMID18006312	ChEMBL
IC50	17600.0 nM	PMID19419204	ChEMBL
IC50	21100.0 nM	PMID19419204	ChEMBL
IC50	21700.0 nM	PMID19419204	ChEMBL
IC50	21900.0 nM	PMID19419204	ChEMBL
IC50	22400.0 nM	PMID19419204	ChEMBL
IC50	24600.0 nM	PMID19419204	ChEMBL
IC50	26500.0 nM	PMID19419204	ChEMBL
Inhibition	23.4 %	PMID19419204	ChEMBL
Inhibition	30.8 %	PMID19419204	ChEMBL
Ratio IC50	0.2 -	PMID19419204	ChEMBL

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