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GPCR

Name	P2Y purinoceptor 12
Species	Rattus norvegicus (Rat)
Gene	P2ry12
Synonym	purinergic receptor P2Y P2YADP P2Y12 receptor P2Y12 platelet ADP receptor P2Y12 P2Y purinoceptor 12 HORK3 SP1999 [ Show all ]
Disease	N/A for non-human GPCRs
Length	343
Amino acid sequence	MEVPGANATSANTTSIPGTSTLCSRDYKITQVLFPLLYTVLFFAGLITNSLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGAGHLRTLVCQVTSVTFYFTMYISISFLGLITIDRYLKTTRPFKTSSPSNLLGAKILSVAIWAFMFLLSLPNMILTNRRPKDKDITKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYSLITKELYRSYVRTRGSAKAPKKRVNIKVFIIIAVFFICFVPFHFARIPYTLSQTRAVFDCNAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLMSMLRCSTSGANKKKGQEGGDPSEETPM
UniProt	Q9EPX4
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2188
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	alpha,beta-Methylene ATP
Molecular formula	C11H18N5O12P3
IUPAC name	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Molecular weight	505.209
Hydrogen bond acceptor	16
Hydrogen bond donor	7
XlogP	-5.9
Synonyms	NCGC00163316-01 [3H]alphabeta-meATP (a,b-Methylene)adenosine triphosphate AC1L3MBA Adenosine 5'-[hydrogen[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate] ATP, a,b-methylene- D0G8YX SCHEMBL2345274 1ru2 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphinyl]-beta-D-ribofuranosyl]- Adenosine 5'-(a,b-methylenetriphosphonate) Adenosine, 5'-methylenediphosphonate, anhydride with H3PO4 (7CI) alpha,beta-MethyleneATP CAWZRIXWFRFUQB-IOSLPCCCSA-N DTXSID20223219 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid (((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryl)methylphosphonic acid 5'-(Hydrogen((hydroxy(phosphonooxy)phosphinyl)methyl)phosphonate)adenosine a,b-Methyleneadenosine 5'-triphosphate Adenosine 5'-O-[.alpha., .beta.-methylene]-triphosphate Alpha,Beta Methylene ATP AMP-CPP CHEMBL132722 GTPL5405 NYX13NT29D ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl](hydroxy)phosphoryl}oxy)phosphonic acid 7292-42-4 AC1Q6S0Q Adenosine, 5 -[hydrogen [[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate] alpha,beta-Methyleneadenosine 5'-triphosphate BDBM50118221 DB02596 UNII-NYX13NT29D 1s26 a,b-Methylene 5'-ATP Adenosine 5'-(hydrogen ((hydroxy(phosphonooxy)phosphinyl)methyl)phosphonate) Adenosine, 5'-[hydrogen [[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate] alphabeta-meATP CHEBI:35056 EINECS 230-723-9 LS-15132 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid (a,b-Methylene)adenosine 5'-triphosphate 5'-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)adenosine A26612 adenosine 5'-[alpha,beta-methylene]triphosphate alpha,beta-meATP APCPP D00QLM PubChem16902 1ru1 9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphinyl]-.beta.-D-ribofuranosyl]- Adenosine 5'-(a,b-methylenetriphosphate) Adenosine, 5'-(trihydrogen methylenediphosphonate), monoanhydride with phosphoric acid (8CI) ALPHA,BETA-METHYLENEADENOSINE-5'-TRIPHOSPHATE C13740 diphosphomethylphosphonic acid adenosyl ester ZINC8295117 1tmm a,b-Methylene-ATP Adenosine 5'-methylenediphosphono-P2-phosphate Adenosine, 5'-[hydrogen [[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate] (9CI) alphabeta-methylene-adenosine 5'-triphosphate GTPL4093 [ Show all ]
Inchi Key	CAWZRIXWFRFUQB-IOSLPCCCSA-N
Inchi ID	InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
PubChem CID	91557
ChEMBL	CHEMBL132722
IUPHAR	N/A
BindingDB	50118221
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
EC50	<100000.0 nM	PMID12213051	BindingDB,ChEMBL

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