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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	CHEMBL142926
Molecular formula	C23H22N8O3
IUPAC name	1-[4-(furan-2-yl)-11-(3-methylbut-2-enyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
Molecular weight	458.482
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.3
Synonyms	1-(2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea 1-[2-Furan-2-yl-8-(3-methyl-but-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea BDBM50094695 1-[7-(3-Methyl-2-butenyl)-2-(2-furanyl)-7H-1,3,3a,5,6,7-hexaaza-as-indacene-4-yl]-3-(4-methoxyphenyl)urea
Inchi Key	AISZDPKOHKVRLJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22N8O3/c1-14(2)10-11-30-13-17-19(28-30)26-22(27-23(32)24-15-6-8-16(33-3)9-7-15)31-21(17)25-20(29-31)18-5-4-12-34-18/h4-10,12-13H,11H2,1-3H3,(H2,24,26,27,28,32)
PubChem CID	9868763
ChEMBL	CHEMBL142926
IUPHAR	N/A
BindingDB	50094695
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	58.0 nM	PMID11123985	BindingDB,ChEMBL

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