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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	3-isopropyl-1-methylxanthine
Molecular formula	C9H12N4O2
IUPAC name	1-methyl-3-propan-2-yl-7H-purine-2,6-dione
Molecular weight	208.221
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.8
Synonyms	102284-72-0 3-Isopropyl-1-methyl-3,7-dihydro-purine-2,6-dione D0M7AX 1-methyl-3-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione ACMC-20m5ap 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(1-methylethyl)- CHEMBL26119 DTXSID50436895 1-Methyl-3-isopropylxanthine BDBM50025581 3-isopropyl-1-methyl xanthine CTK0D9143 [ Show all ]
Inchi Key	ZBQTVZYXBOKEMJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12N4O2/c1-5(2)13-7-6(10-4-11-7)8(14)12(3)9(13)15/h4-5H,1-3H3,(H,10,11)
PubChem CID	10219934
ChEMBL	CHEMBL26119
IUPHAR	N/A
BindingDB	50025581
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	4890.0 nM	PMID12014951	BindingDB,ChEMBL

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