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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	CHEMBL2391843
Molecular formula	C22H21N7OS
IUPAC name	N-[5-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
Molecular weight	431.518
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.0
Synonyms	N/A
Inchi Key	AOXGNJOJNWIKAH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21N7OS/c1-13-9-11-15(12-10-13)19(30)27-22-24-16(14-7-5-4-6-8-14)17(31-22)18-25-20(23)28-21(26-18)29(2)3/h4-12H,1-3H3,(H,24,27,30)(H2,23,25,26,28)
PubChem CID	72197513
ChEMBL	CHEMBL2391843
IUPHAR	N/A
BindingDB	N/A
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	<30000.0 nM	PMID23685887	ChEMBL

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