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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 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	Adenosine 5'-diphosphate
Molecular formula	C10H15N5O10P2
IUPAC name	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular weight	427.203
Hydrogen bond acceptor	14
Hydrogen bond donor	6
XlogP	-4.6
Synonyms	AK-54732 BRN 0067722 18389-49-6 D05NWF 1oz4 GTPL1712 2c02 NCGC00163322-01 61D2G4IYVH ZINC12360703 AC1L1LMR Adenosine 5'-(trihydrogen pyrophosphate) (8CI) Adenosine Diphosphate (ADP) adenosine-5-diphosphate Ado-5'-P-P BDBM31995 CHEBI:16761 1e8h Epitope ID:137351 1xxi J-700143 5'-Adenylphosphoric acid SCHEMBL18076199 9-{5-O-[hydroxy(phosphonooxy)phosphoryl]-b-D-glycero-pentofuranosyl}-9H-purin-6-amine [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid Adenosine 5 inverted exclamation mark -diphosphate Adenosine 5'-diphosphoric acid Adenosine, 5'-(trihydrogen diphosphate) ADP.H2 bmse000935 (S)-1-C-(7-Amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-D-ribitol, 5-(trihydrogen diphosphate) CS-W011634 1m74 FT-0621907 20398-34-9 MFCD00066473 58-64-0 UNII-61D2G4IYVH 9H-purin-6-amine, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-D-glycero-pentofuranosyl]- Adenosine 5'-(trihydrogen diphosphate) Adenosine diphosphate adenosine-5'-diphosphate AKOS022179933 C00008 1amw DB-022410 1t3t H3adp PDSP1_001088 84412-16-8 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate AC1Q1ID4 Adenosine diphosphoric acid adenosine-diphosphate ADP BDBM50368125 1hi5 Formycin diphosphate 1y8o KB-200370 5'-Adp SCHEMBL24103 905904-58-7 adenosine 5 inverted exclamation marka-diphosphate adenosine 5'-pyrophosphate ADENOSINE, 5'-(TRIHYDROGEN PYROPHOSPHATE) AJ-61691 bmse000991 CTK5F2281 1o0h GN9482 2bfr MolPort-003-925-185 58A640 XTWYTFMLZFPYCI-KQYNXXCUSA-N a-ADP Adenosine 5'-(trihydrogen diphosphate) (9CI) Adenosine diphosphate (6CI) Adenosine-5'-diphosphate, MonodiuM salt Adenosine5'-diphosphate AS-11755 C10H15N5O10P2 1ao0 EINECS 200-392-5 1ucn HY-W010918 4-26-00-03629 (Beilstein Handbook Reference) PDSP2_001072 896506-82-4 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Adenosindiphosphorsaeure Adenosine 5'-diphosphate, >=95% (HPLC) adenosine pyrophosphate ADP (nucleotide) bmse000004 ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate CHEMBL14830 1lkx FT-0082295 1yrs LS-15185 ST24045919 9H-Purin-6-amine, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-.beta.-D-ribofuranosyl]- adenosine 5' diphosphate Adenosine 5'-pyrophosphoric acid Adenosine-5'-diphosphat [ Show all ]
Inchi Key	XTWYTFMLZFPYCI-KQYNXXCUSA-N
Inchi ID	InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
PubChem CID	6022
ChEMBL	CHEMBL14830
IUPHAR	1712
BindingDB	31995, 50368125
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	316.228 nM	PMID12815166	IUPHAR

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