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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	Rattus norvegicus (Rat)
Gene	Adora2b
Synonym	A2b A2B receptor A2BR adenosine receptor A2b
Disease	N/A for non-human GPCRs
Length	332
Amino acid sequence	MQLETQDALYVALELVIAALAVAGNVLVCAAVGASSALQTPTNYFLVSLATADVAVGLFAIPFAITISLGFCTDFHSCLFLACFVLVLTQSSIFSLLAVAVDRYLAIRVPLRYKGLVTGTRARGIIAVLWVLAFGIGLTPFLGWNSKDRATSNCTEPGDGITNKSCCPVKCLFENVVPMSYMVYFNFFGCVLPPLLIMMVIYIKIFMVACKQLQHMELMEHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAINCITLFHPALAKDKPKWVMNVAILLSHANSVVNPIVYAYRNRDFRYSFHRIISRYVLCQTDTKGGSGQAGGQSTFSLSL
UniProt	P29276
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2592
IUPHAR	20
DrugBank	N/A

Ligand

Name	CHEMBL63944
Molecular formula	C13H12N4O2
IUPAC name	1-benzyl-3-methyl-7H-purine-2,6-dione
Molecular weight	256.265
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.5
Synonyms	1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(phenylmethyl)- DTXSID50473801 BDBM50113235 1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione CTK0C3768 phenyltheophylline 120642-81-1 D0D9YL ACMC-20mp1i SCHEMBL7453870 [ Show all ]
Inchi Key	YAYRUHPCXIPTID-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H12N4O2/c1-16-11-10(14-8-15-11)12(18)17(13(16)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)
PubChem CID	11821203
ChEMBL	CHEMBL63944
IUPHAR	N/A
BindingDB	50113235
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	10200.0 nM	PMID12014951	BindingDB,ChEMBL

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