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Go to the GPCR, ligand, or experimental data tables.
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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	CVT-6883
Molecular formula	C21H21F3N6O2
IUPAC name	3-ethyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione
Molecular weight	446.434
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.2
Synonyms	AOB4675 Kinome_3621 3-ethyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione BDBM50236738 NCGC00345800-05 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-3-ethyl-1-propyl-1H-purine-2,6(3H,7H)-dione CTV-6883 GS-6201 (CVT6883) ZINC29055563 3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione API0004749 CVT6883 MolPort-035-765-814 3-Ethyl-3,9-dihydro-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]-1H-purine-2,6-dione 67CKV7X08G GS 6201 SCHEMBL238694 1H-Purine-2,6-dione, 3-ethyl-3,9-dihydro-1-propyl-8-(1-((3-(trifluoromethyl)phenyl)methyl)-1H-pyrazol-4-yl)- AKOS024458311 CVT 6883 GTPL5615 3-Ethyl-1-propyl-8-(1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione AS-16811 D0G4CF NCGC00345800-01 752222-83-6 CHEMBL260933 GS-6201 UNII-67CKV7X08G 222C836 [ Show all ]
Inchi Key	KOYXXLLNCXWUNF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
PubChem CID	11270783
ChEMBL	CHEMBL260933
IUPHAR	5615
BindingDB	50236738
DrugBank	DB05936
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Kb	6.0 nM	PMID18321039	ChEMBL
Ki	8.3 nM	PMID22148859	BindingDB,ChEMBL
Ki	22.0 nM	PMID18321039, PMID19569717	PDSP,BindingDB,IUPHAR,ChEMBL

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