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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	UNII-29S2U9DRGS
Molecular formula	C27H28N6O5
IUPAC name	8-[4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight	516.558
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	5.7
Synonyms	8-(4-((5-(3-Methoxyphenyl)-(1,2,4)oxadiazol-3-yl)methoxy)phenyl)-1,3-dipropyl-1,3,7-trihydropurine-2,6-dione 1H-Purine-2,6-dione, 3,7-dihydro-8-(4-((5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)methoxy)phenyl)-1,3-dipropyl- SCHEMBL239277 8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione CHEMBL180693 1H-Purine-2,6-dione, 3,9-dihydro-8-(4-((5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)methoxy)phenyl)-1,3-dipropyl- 531506-64-6 BDBM50159975 CVT-5440 29S2U9DRGS [ Show all ]
Inchi Key	AHJHSANRNGKAFS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30)
PubChem CID	10196114
ChEMBL	CHEMBL180693
IUPHAR	N/A
BindingDB	50159975
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	50.0 nM	PMID15664822, PMID22148859	BindingDB,ChEMBL

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