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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	Kinetin riboside
Molecular formula	C15H17N5O5
IUPAC name	(2R,3R,4S,5R)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	347.331
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	0.2
Synonyms	Furfuryladenosine KBioGR_002280 MLS002207023 N6-Furfuryladenosine Riboside, kinetin Spectrum2_001453 (-)-KINETIN RIBOSIDE ZINC2169849 4338-47-0 Adenosine,N-(2-furanylmethyl)- CCG-38867 KBio1_001591 N-(2-Furanylmethyl)adenosine NCGC00017361-04 SDCCGMLS-0066656.P001 Spectrum5_000687 (2R,3R,4S,5R)-2-(6-(furan-2-ylmethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol 6-Furfuryladenosine BRD-K94325918-001-02-0 CHEMBL411066 KBio2_006893 LS-15141 N6-(2-furanylmethyl)-adenosine NCGC00142491-03 SPBio_001345 SR-05000002609-1 (3S,2R,4R,5R)-5-{6-[(2-furylmethyl)amino]purin-9-yl}-2-(hydroxymethyl)oxolane- 3,4-diol Adenosine, N-(2-furanylmethyl)- (9CI) BSPBio_002802 EINECS 224-389-3 HY-101055 KBioSS_001757 N(sup 6)-Furfuryladenosine NCGC00017361-02 Ribosylkinetin Spectrum3_001101 (2R,3R,4S,5R)-2-(6-((Furan-2-ylmethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol AKOS024282559 CHEBI:95050 KBio2_001757 Kinetin riboside, proapoptotic anitproliferative plant growth regulator N6- inverted question mark.>>uIUUO NCGC00142491-01 SMP1_000170 Spectrum_001277 (2R,3R,4S,5R)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol 6-Furfurylaminopurine riboside BRD-K94325918-001-05-3 CS-6377 KBio3_002022 MFCD00037987 N6-(2-ss>>a<<(1/4)x>>u)IUUO NSC 120958 SpecPlus_000551 ST057091 4-26-00-03686 (Beilstein Handbook Reference) ADENOSINE, N-FURFURYL- CAGLGYNQQSIUGX-SDBHATRESA-N FT-0621143 KB-55460 Kinetin ribonucleoside N-(2-Furanylmethyl)-1H-purin-6-amine riboside NCGC00017361-03 SCHEMBL3190252 Spectrum4_001930 (2R,3R,4S,5R)-2-(6-(furan-2-ylmethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol 6- inverted question mark.>>u degrees +/->>uaNssE masculineEUO BDBM50241447 KBio2_004325 Kinetin-9-riboside N6-(2-Furanyl-methyl)adenosine NCGC00142491-02 SMR001223878 SR-05000002609 (2R,3R,4S,5R)-2-{6-[(furan-2-ylmethyl)amino]purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol AC1L2G2M BRN 0059588 DivK1c_006647 [ Show all ]
Inchi Key	CAGLGYNQQSIUGX-SDBHATRESA-N
Inchi ID	InChI=1S/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
PubChem CID	20345
ChEMBL	CHEMBL411066
IUPHAR	N/A
BindingDB	50241447
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	22.0 nM	PMID18588281	BindingDB,ChEMBL

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