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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	1,3-Diethyl-8-phenylxanthine
Molecular formula	C15H16N4O2
IUPAC name	1,3-diethyl-8-phenyl-7H-purine-2,6-dione
Molecular weight	284.319
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.9
Synonyms	CCG-204220 FT-0606658 NSC_1328 SR-01000075182 CTK5E2202 Lopac-A-003 PDSP1_000991 ZINC9229229 1H-Purine-2,6-dione,1,3-diethyl-3,9-dihydro-8-phenyl- AC1Q6LCB C-48797 DEPX NCGC00014999-02 PDSP2_000975 1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione 75922-48-4 GTPL445 PDSP1_000323 SR-01000075182-1 1,3-Dithyl-8-phenylxanthine AC1L1B8H AKOS027378654 D07HKU Lopac0_000125 PDSP2_000321 1,3-Diethyl-3,9-dihydro-8-phenyl-1H-purine-2,6-dione 2KCV39GKGL CAS_1328 EU-0100125 NCGC00093616-01 SCHEMBL1321894 1,3-diethyl-8-phenyl-7H-purine-2,6-dione 8-Phenyl-1,3-diethylxanthine CHEMBL11348 L001207 PDSP1_000326 UNII-2KCV39GKGL 1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro-8-phenyl- AC1Q312F BDBM81971 D0BD8N NCGC00014999-01 PDSP2_000324 1,3-Diethyl-8-phenyl-1H-purine-2,6(3H,7H)-dione [ Show all ]
Inchi Key	LVSWNSHUTPWCNF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)
PubChem CID	1328
ChEMBL	CHEMBL11348
IUPHAR	445
BindingDB	81971
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	12.3 nM	PMID10496952	PDSP,BindingDB
Ki	12.5893 nM	PMID10496952	IUPHAR
Ki	62.0 nM	PMID12014951	BindingDB,ChEMBL

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