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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	Adenosine-5'-(N-propyl)carboxamide
Molecular formula	C13H18N6O4
IUPAC name	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propyloxolane-2-carboxamide
Molecular weight	322.325
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-0.2
Synonyms	CHEMBL1235128 PA7 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-propylribofuranuronamide CHEBI:140261 57872-80-7 LS-143781 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-propyltetrahydrofuran-2-carboxamide BDBM50389796 Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-propyl- 5'-Oxo-5'-(propylamino)-5'-deoxyadenosine AC1MII35 N-PROPYL CARBOXYAMIDO ADENOSINE (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propyloxolane-2-carboxamide BRN 0582860 [ Show all ]
Inchi Key	UQGKLARJCHZHSS-QRIDJOKKSA-N
Inchi ID	InChI=1S/C13H18N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h4-5,7-9,13,20-21H,2-3H2,1H3,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1
PubChem CID	3044933
ChEMBL	CHEMBL1235128
IUPHAR	N/A
BindingDB	50389796
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	44.0 nM	PMID10212124	ChEMBL
Ki	50.0 nM	PMID22486652	BindingDB,ChEMBL
Ki	50.12 nM	MedChemComm, (2016) 7:2:237	ChEMBL

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