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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	CHEMBL1094143
Molecular formula	C25H19N5O
IUPAC name	N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide
Molecular weight	405.461
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.6
Synonyms	BDBM50318270 N-(2-benzyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide
Inchi Key	ACNFYYUXBQGWQL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H19N5O/c31-25(20-14-8-3-9-15-20)28-23-21-17-30(16-18-10-4-1-5-11-18)29-24(21)27-22(26-23)19-12-6-2-7-13-19/h1-15,17H,16H2,(H,26,27,28,29,31)
PubChem CID	46238064
ChEMBL	CHEMBL1094143
IUPHAR	N/A
BindingDB	50318270
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	53.0 nM	PMID20408530	BindingDB,ChEMBL
Ki	3.0 nM	PMID20408530	BindingDB,ChEMBL

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