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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	Poly(2'-methylthioadenylic acid)
Molecular formula	C11H16N5O7PS
IUPAC name	[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Molecular weight	393.311
Hydrogen bond acceptor	12
Hydrogen bond donor	5
XlogP	-2.7
Synonyms	2-MeS-5'-AMP 5'-Adenylic acid,2-(methylthio)-, homopolymer (9CI) CHEMBL609484 W-201920 2-Methylthio-AMP Triethylammonium salt hydrate AC1Q6RW5 DTXSID70221068 2-(methylsulfanyl)adenosine 5'-(dihydrogen phosphate) 2MeSAMP 2-MeSAMP 70804-88-5 CTK5D3017 ZINC13473522 ((2R,3S,4R,5R)-5-(6-Amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate 2-Methylthioadenosine 5-monophosphate AKOS030566891 GTPL1764 2-(Methylthio)adenosine 5'-phosphoric acid 5'-Adenylic acid, 2-(methylthio)-, homopolymer CHEMBL606240 SCHEMBL2527383 2-methylthio-AMP AC1L4P8U D01GRB [(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate 22140-20-1 BDBM50367099 J-014548 [ Show all ]
Inchi Key	XVTFTCNRRAQHEQ-KQYNXXCUSA-N
Inchi ID	InChI=1S/C11H16N5O7PS/c1-25-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
PubChem CID	189762
ChEMBL	CHEMBL606240
IUPHAR	1764
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2511.89 nM	PMID12815166	IUPHAR

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