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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	acid blue 40
Molecular formula	C22H16N3NaO6S
IUPAC name	sodium;4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonate
Molecular weight	473.435
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	None
Synonyms	4-{[4-(acetylamino)phenyl]amino}-1-amino-9,10-dioxoanthracene-2-sulfonic acid, sodium salt AS-17120 I04-8966 T054 2-Anthracenesulfonic acid, 4-((4-(acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt NSC 366218 WA81N3PV2R 2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:1) AKOS024284386 EINECS 229-190-5 sodium 4-(4-acetamidophenylamino)-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate 6424-85-7 C.I. Acid Blue 40 MFCD00001216 UNII-WA81N3PV2R 2-Anthracenesulfonic acid, 4-((4-(acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:1) Acid Blue 40 (C.I. 62125) CHEMBL271688 Sodium 4-((4-acetamidophenyl)amino)-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate 39280-58-5 Alizarin Direct Blue A2G GT4451 ST075444 1007600-13-6 84842-83-1 C22H16N3O6S.Na MolPort-003-927-825 W-110147 2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl] amino]-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt AKOS000282968 DTXSID9037030 Sodium 4-(4-acetamidophenyl-1-amino)-1-amino-9,10-dioxoanthracene-2-sulphonate [ Show all ]
Inchi Key	NTOOJLUHUFUGQI-UHFFFAOYSA-M
Inchi ID	InChI=1S/C22H17N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31);/q;+1/p-1
PubChem CID	23672996
ChEMBL	CHEMBL271688
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
IC50	5810.0 nM	PMID18006312	ChEMBL

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