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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.
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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	(S)-PIA
Molecular formula	C19H23N5O4
IUPAC name	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2S)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight	385.424
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	2.0
Synonyms	S-PIA (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2S)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol AC1NSM10 N6-(D-2-Phenylisopropyl)adenosine PDSP1_000298 CHEMBL420705 PDSP2_001015 GTPL415 SCHEMBL6762494 (2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol BDBM50080398 N6-[(S)-1-Methyl-2-phenylethyl]ado (S-PIA) PDSP1_001031 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol CTK1C3340 S(+)-N6-(2-PHENYLISOPROPYL)ADENOSINE (S( +)-PIA) (+)-N6-(2-Phenylisopropyl)adenosine N6-((S)-1-Methyl-2-phenylethyl)adenosine ZINC1320081 (S)-N6-(1-Methyl-2-phenylethyl)adenosine NCGC00163299-01 PDSP2_000296 38594-97-7 D0E9QX [ Show all ]
Inchi Key	RIRGCFBBHQEQQH-KFAHYOAQSA-N
Inchi ID	InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13+,15+,16+,19+/m0/s1
PubChem CID	5312112
ChEMBL	CHEMBL420705
IUPHAR	415
BindingDB	50080398
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	210.0 nM	PMID12238926	BindingDB,ChEMBL
Efficacy	97.0 %	PMID12238926	ChEMBL
Ki	39.8107 - 501.187 nM	PMID8234299, PMID9459566, PMID10779381	IUPHAR
Ki	68.0 nM	PMID12238926	BindingDB,ChEMBL

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