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GPCR

Name	Adenosine receptor A3
Species	Homo sapiens (Human)
Gene	ADORA3
Synonym	ARA3 Adenosine receptor A3 A3AR A3 receptor TGPCR1
Disease	Cerebrovascular ischaemia Malaria Ischemia Inflammation Hepatocellular carcinoma; Hepatitis C virus infection Glaucoma Cancer [ Show all ]
Length	318
Amino acid sequence	MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProt	P0DMS8
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T36059
ChEMBL	CHEMBL256
IUPHAR	21
DrugBank	BE0000354

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	adenosine 5'-[alpha,beta-methylene]triphosphate alpha,beta-meATP APCPP D00QLM 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'-(a,b-methylenetriphosphate) Adenosine, 5'-(trihydrogen methylenediphosphonate), monoanhydride with phosphoric acid (8CI) ALPHA,BETA-METHYLENEADENOSINE-5'-TRIPHOSPHATE C13740 diphosphomethylphosphonic acid adenosyl ester PubChem16902 1ru1 9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphinyl]-.beta.-D-ribofuranosyl]- Adenosine 5'-methylenediphosphono-P2-phosphate Adenosine, 5'-[hydrogen [[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate] (9CI) alphabeta-methylene-adenosine 5'-triphosphate GTPL4093 ZINC8295117 1tmm a,b-Methylene-ATP Adenosine 5'-[hydrogen[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate] ATP, a,b-methylene- D0G8YX NCGC00163316-01 [3H]alphabeta-meATP (a,b-Methylene)adenosine triphosphate AC1L3MBA Adenosine 5'-(a,b-methylenetriphosphonate) Adenosine, 5'-methylenediphosphonate, anhydride with H3PO4 (7CI) alpha,beta-MethyleneATP CAWZRIXWFRFUQB-IOSLPCCCSA-N DTXSID20223219 SCHEMBL2345274 1ru2 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphinyl]-beta-D-ribofuranosyl]- Adenosine 5'-O-[.alpha., .beta.-methylene]-triphosphate Alpha,Beta Methylene ATP AMP-CPP CHEMBL132722 GTPL5405 [(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 -[hydrogen [[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate] alpha,beta-Methyleneadenosine 5'-triphosphate BDBM50118221 DB02596 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) Adenosine, 5'-[hydrogen [[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate] alphabeta-meATP CHEBI:35056 EINECS 230-723-9 UNII-NYX13NT29D 1s26 a,b-Methylene 5'-ATP [ 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
IC50	14.0 nM	PMID16250647	BindingDB,ChEMBL

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