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GLASS

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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	CHEMBL324100
Molecular formula	C19H12N4O2
IUPAC name	3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Molecular weight	328.331
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.3
Synonyms	BDBM50102287 3-Furan-2-yl-10-phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazin-4-one 3-(2-Furyl)-10-phenyl[1,2,4]triazino[4,3-a]benzimidazole-4(10H)-one
Inchi Key	AWLXMIOPONXPFQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H12N4O2/c24-18-17(16-11-6-12-25-16)20-21-19-22(13-7-2-1-3-8-13)14-9-4-5-10-15(14)23(18)19/h1-12H
PubChem CID	10687707
ChEMBL	CHEMBL324100
IUPHAR	N/A
BindingDB	50102287
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3200.0 nM	PMID22257095	BindingDB,ChEMBL

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