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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	1-Isoamyl-3-isobutylxanthine
Molecular formula	C14H22N4O2
IUPAC name	1-(3-methylbutyl)-3-(2-methylpropyl)-7H-purine-2,6-dione
Molecular weight	278.356
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.1
Synonyms	AC1L47J8 ZINC5114421 3-Isobutyl-1-(3-methyl-butyl)-3,7-dihydro-purine-2,6-dione CHEMBL20613 63908-26-9 SCHEMBL10579248 1H-Purine-2,6-dione, 3,7-dihydro-1-(3-methylbutyl)-3-(2-methylpropyl)- BDBM50018154 3-Isobutyl-1-isoamylxanthine CTK5C0165 1-(3-methylbutyl)-3-(2-methylpropyl)-7H-purine-2,6-dione 976SW405SB UNII-976SW405SB 1H-Purine-2,6-dione,3,9-dihydro-1-(3-methylbutyl)-3-(2-methylpropyl)- DTXSID30213606 [ Show all ]
Inchi Key	HRWQHFZQHIUCCC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H22N4O2/c1-9(2)5-6-17-13(19)11-12(16-8-15-11)18(14(17)20)7-10(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)
PubChem CID	152034
ChEMBL	CHEMBL20613
IUPHAR	N/A
BindingDB	50018154
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	6240.0 nM	PMID12014951	BindingDB,ChEMBL

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