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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	P2Y purinoceptor 12
Species	Homo sapiens (Human)
Gene	P2RY12
Synonym	P2Y12 platelet ADP receptor P2Y12 receptor P2YADP purinergic receptor P2Y P2Y12 P2Y(cyc) P2Y(ADP) P2Y(AC) P2Y purinoceptor 12 P2T(AC) HORK3 ADPG-R ADP-glucose receptor SP1999 [ Show all ]
Disease	N/A
Length	342
Amino acid sequence	MQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYISISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKNVKKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYTLITKELYRSYVRTRGVGKVPRKKVNVKVFIIIAVFFICFVPFHFARIPYTLSQTRDVFDCTAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLISMLKCPNSATSLSQDNRKKEQDGGDPNEETPM
UniProt	Q9H244
Protein Data Bank	4py0, 4pxz, 4ntj
GPCR-HGmod model	Q9H244
3D structure model	This structure is from PDB ID 4py0.
BioLiP	BL0272414,BL0272415, BL0276068, BL0276067, BL0276066, BL0272413
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2001
IUPHAR	328
DrugBank	BE0000110

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	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 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 [ 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
Inhibition	4.0 %	PMID19463000	ChEMBL
Ki	<10000.0 nM	PMID19463000	ChEMBL

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