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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	CHEMBL286785
Molecular formula	C11H12N4O2
IUPAC name	1,3-bis(prop-2-enyl)-7H-purine-2,6-dione
Molecular weight	232.243
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.3
Synonyms	1,3-Diallyl-7H-purine-2,6(1H,3H)-dione D07HNM 31542-64-0 1.3-Diallylxanthin SCHEMBL516503 1,3-Diallyl-3,7-dihydro-purine-2,6-dione 1H-Purine-2,6-dione, 3,9-dihydro-1,3-di-2-propen-1-yl- BDBM50022725 [ Show all ]
Inchi Key	NUZFZZOVBJUJQN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H12N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h3-4,7H,1-2,5-6H2,(H,12,13)
PubChem CID	22995178
ChEMBL	CHEMBL286785
IUPHAR	N/A
BindingDB	50022725
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	1330.0 nM	PMID12014951	BindingDB,ChEMBL

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