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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	CHEMBL26406
Molecular formula	C12H14N4O2
IUPAC name	7-methyl-1,3-bis(prop-2-enyl)purine-2,6-dione
Molecular weight	246.27
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.2
Synonyms	1,3-diallyl-7-methylxanthine BDBM50025574 1,3-Di(2-propenyl)-7-methylxanthine D06YJN 102284-65-1 1,3-Diallyl-7-methyl-3,7-dihydro-purine-2,6-dione [ Show all ]
Inchi Key	YAUBCZNTZIWFJS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H14N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h4-5,8H,1-2,6-7H2,3H3
PubChem CID	44459941
ChEMBL	CHEMBL26406
IUPHAR	N/A
BindingDB	50025574
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	3390.0 nM	PMID12014951	BindingDB,ChEMBL

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