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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 13
Species	Homo sapiens (Human)
Gene	P2RY13
Synonym	G-protein coupled receptor 86 purinergic receptor P2Y, G-protein coupled 13 purinergic receptor P2Y P2Y13 receptor P2Y13 G protein-coupled receptor 86 GPR94 G-protein coupled receptor 94 P2Y purinoceptor 13 [ Show all ]
Disease	N/A
Length	354
Amino acid sequence	MTAAIRRQRELSILPKVTLEAMNTTVMQGFNRSERCPRDTRIVQLVFPALYTVVFLTGILLNTLALWVFVHIPSSSTFIIYLKNTLVADLIMTLMLPFKILSDSHLAPWQLRAFVCRFSSVIFYETMYVGIVLLGLIAFDRFLKIIRPLRNIFLKKPVFAKTVSIFIWFFLFFISLPNTILSNKEATPSSVKKCASLKGPLGLKWHQMVNNICQFIFWTVFILMLVFYVVIAKKVYDSYRKSKSKDRKNNKKLEGKVFVVVAVFFVCFAPFHFARVPYTHSQTNNKTDCRLQNQLFIAKETTLFLAATNICMDPLIYIFLCKKFTEKLPCMQGRKTTASSQENHSSQTDNITLG
UniProt	Q9BPV8
Protein Data Bank	N/A
GPCR-HGmod model	Q9BPV8
3D structure model	This predicted structure model is from GPCR-EXP Q9BPV8.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	N/A
IUPHAR	329
DrugBank	N/A

Ligand

Name	Ap4A
Molecular formula	C20H24N10O19P4-4
IUPAC name	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular weight	832.358
Hydrogen bond acceptor	27
Hydrogen bond donor	6
XlogP	-8.6
Synonyms	CHEBI:58141 P1,P4-Bis(5'-adenosyl) tetraphosphate F-1500 (tetraNa salt) P(1),P(4)-bis(5'-adenosyl) tetraphosphate(4-) D0UF2N [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}phosphinato)oxy]phosphonate 3loo GTPL1732 bis(5'-adenosyl) tetraphosphate P(1),P(4)-bis(5'-adenosyl)tetraphosphate Diadenosine 5',5''-P1,P4-tetraphosphate ADENOSYL-P4 P(1),P(4)-bis(5'-adenosyl) tetraphosphate tetraanion [ Show all ]
Inchi Key	YOAHKNVSNCMZGQ-XPWFQUROSA-J
Inchi ID	InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/p-4/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
PubChem CID	25243905
ChEMBL	N/A
IUPHAR	1732
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	199.526 nM	PMID12815166	IUPHAR

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