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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 A2b
Species	Homo sapiens (Human)
Gene	ADORA2B
Synonym	adenosine receptor A2b A2BR A2B receptor A2b
Disease	Paroxysmal supraventricular tachycardia Non-insulin dependent diabetes Hypertension Herpes simplex virus infection Apnea Asthma [ Show all ]
Length	332
Amino acid sequence	MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL
UniProt	P29275
Protein Data Bank	N/A
GPCR-HGmod model	P29275
3D structure model	This predicted structure model is from GPCR-EXP P29275.
BioLiP	N/A
Therapeutic Target Database	T86679
ChEMBL	CHEMBL255
IUPHAR	20
DrugBank	BE0000241

Ligand

Name	CHEMBL3828530
Molecular formula	C20H26N6O3
IUPAC name	9-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight	398.467
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.7
Synonyms	BDBM50187597
Inchi Key	AHSLSUWOGCWHAY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26N6O3/c1-22(2)12-13-29-15-8-6-14(7-9-15)25-10-5-11-26-16-17(21-19(25)26)23(3)20(28)24(4)18(16)27/h6-9H,5,10-13H2,1-4H3
PubChem CID	127043159
ChEMBL	CHEMBL3828530
IUPHAR	N/A
BindingDB	50187597
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	1.0 %	PMID27485602	ChEMBL
Ki	<1000.0 nM	PMID27485602	BindingDB,ChEMBL

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