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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	5'-N-methylcarboxamidoadenosine
Molecular formula	C11H14N6O4
IUPAC name	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Molecular weight	294.271
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-1.1
Synonyms	(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide AC1L409F LS-143777 PDSP2_001279 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-methylribofuranuronamide hemihydrate AKOS027381450 NCGC00162060-02 ZINC1683110 CHEMBL519809 PDSP1_001295 (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-n-methyltetrahydrofuran-2-carboxamide(non-preferred name) AC1Q5L9P MECA Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-methyl-, hemihydrate 35788-27-3 BDBM50407975 NSC 148458 (2S,3S,4R)-5-(6-Aminopurin-9-yl)-N-methyl-3,4-dihydroxy-oxolane-2-carboxamide FT-0771045 PDSP2_000984 (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide Adenosine-5'-(N-methyl)carboxamide hemihydrate NCGC00162060-01 SCHEMBL10001413 5'-N-Methylcarboxamideadenosine PDSP1_001000 [ Show all ]
Inchi Key	PLYRYAHDNXANEG-QMWPFBOUSA-N
Inchi ID	InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
PubChem CID	98567
ChEMBL	CHEMBL519809
IUPHAR	N/A
BindingDB	50407975
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	38.0 nM	PMID26191370	BindingDB,ChEMBL
Ki	6.4 nM	PMID10212124	ChEMBL

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