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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.
Go to the GPCR page and check other ligands which interact with it.
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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-Propylxanthine
Molecular formula	C8H10N4O2
IUPAC name	1-propyl-3,7-dihydropurine-2,6-dione
Molecular weight	194.194
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	0.6
Synonyms	DTXSID10146367 BDBM50001490 SCHEMBL8930198 1-propyl-3,7-dihydropurine-2,6-dione 1H-Purine-2,6-dione, 3,7-dihydro-1-propyl- CTK4A2909 AC1L2TY0 IWBONKMODGBEOX-UHFFFAOYSA-N 1H-Purine-2,6-dione,3,9-dihydro-1-propyl- D0LD0X ACMC-1BNN6 SCHEMBL4423680 1-Propyl-3,7-dihydro-purine-2,6-dione 104285-82-7 CHEMBL39986 [ Show all ]
Inchi Key	IWBONKMODGBEOX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)
PubChem CID	128525
ChEMBL	CHEMBL39986
IUPHAR	N/A
BindingDB	50001490
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	360.0 nM	PMID12014951	BindingDB,ChEMBL

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