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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	CHEMBL278805
Molecular formula	C22H22Cl2N8O3S
IUPAC name	4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]-N,N-bis(2-chloroethyl)benzenesulfonamide
Molecular weight	549.431
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	2.7
Synonyms	4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-N,N-bis-(2-chloro-ethyl)-benzenesulfonamide 2-(2-Furyl)-6-[2-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]ethyl]-6H-1,3,3a,5,6,7-hexaaza-as-indacene-4-amine 4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)-N,N-bis(2-chloroethyl)benzenesulfonamide BDBM50108027
Inchi Key	AFJNCGQVDPTGRN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22Cl2N8O3S/c23-8-11-30(12-9-24)36(33,34)16-5-3-15(4-6-16)7-10-31-20-17(14-26-31)21-27-19(18-2-1-13-35-18)29-32(21)22(25)28-20/h1-6,13-14H,7-12H2,(H2,25,28)
PubChem CID	11017082
ChEMBL	CHEMBL278805
IUPHAR	N/A
BindingDB	50108027
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID19501513, PMID11754583	BindingDB,ChEMBL

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