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GLASS

You can:

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	CHEMBL2113547
Molecular formula	C17H24ClN5O4
IUPAC name	(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol
Molecular weight	397.86
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	1.4
Synonyms	AWTMTQOYFLGHJN-XNIJJKJLSA-N N-Cyclopentyl-2-chloro-5'-O-ethyladenosine N6-cyclopentyl-2-Chloro-5'-O-ethyladenosine
Inchi Key	AWTMTQOYFLGHJN-XNIJJKJLSA-N
Inchi ID	InChI=1S/C17H24ClN5O4/c1-2-26-7-10-12(24)13(25)16(27-10)23-8-19-11-14(20-9-5-3-4-6-9)21-17(18)22-15(11)23/h8-10,12-13,16,24-25H,2-7H2,1H3,(H,20,21,22)/t10-,12-,13-,16-/m1/s1
PubChem CID	11003842
ChEMBL	CHEMBL2113547
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	30.0 -	PMID11520205	ChEMBL
Activity	47.0 -	PMID11520205	ChEMBL
Inhibition	31.0 %	PMID11520205	ChEMBL
Ki	67.0 nM	PMID11520205	ChEMBL

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