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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 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	CHEMBL25373
Molecular formula	C11H14N4O4
IUPAC name	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl acetate
Molecular weight	266.257
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	-0.6
Synonyms	DTXSID70659185 7-(beta-acetoxyethyl)theophylline ACMC-20m0yg 96474-41-8 1H-Purine-2,6-dione, 7-[2-(acetyloxy)ethyl]-3,7-dihydro-1,3-dimethyl- BDBM50025567 CTK3F2593 7-(2-Acetoxyethyl)-1,3-dimethylxanthine Acetic acid 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl acetate [ Show all ]
Inchi Key	CQKZJBMFMGGBHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14N4O4/c1-7(16)19-5-4-15-6-12-9-8(15)10(17)14(3)11(18)13(9)2/h6H,4-5H2,1-3H3
PubChem CID	44459944
ChEMBL	CHEMBL25373
IUPHAR	N/A
BindingDB	50025567
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	23200.0 nM	PMID12014951	BindingDB,ChEMBL

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