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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 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	2-MeSADP
Molecular formula	C11H17N5O10P2S
IUPAC name	[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular weight	473.29
Hydrogen bond acceptor	15
Hydrogen bond donor	6
XlogP	-3.8
Synonyms	ZINC3995387 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate) AC1Q6S18 D0U7EQ [3H]2-methylthio-ADP ((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate 2-Mes-ADP 2-methylthio-ADP AKOS027379362 methylthio-ADP 6AD CHEMBL435402 [(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate 2-(Methylthio)-Adenosinediphosphate Adenosine 5'-(trihydrogen diphosphate), 2-(methylthio)- GTPL1710 [3H]2MeSADP ((2S,3R,4S,5S)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate 2MeSADP BDBM50118242 SCHEMBL195864 AC1L3TRY D0BB0O [({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid 2-(Methylthio)adenosine 5'-diphosphate 2-methylthio-adenosine-5'-diphosphate adenosine, 2-(methylthio)-, 5'-(trihydrogen diphosphate) GTPL1763 (3H)2-Mes-ADP [ Show all ]
Inchi Key	WLMZTKAZJUWXCB-KQYNXXCUSA-N
Inchi ID	InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
PubChem CID	121990
ChEMBL	CHEMBL435402
IUPHAR	1710, 1763
BindingDB	50118242
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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1.0 nM	PMID12815166	IUPHAR

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