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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Adenosine receptor A2a
Species	Cavia porcellus (Guinea pig)
Gene	ADORA2A
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	409
Amino acid sequence	MSSSVYITVELVIAVLAILGNVLVCWAVWINSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLTITIDRYIAIRIPLRYNGLVTCTRAKGIIAICWVLSFAIGLTPMLGWNNCSQPKGDKNHSESCDEGQVTCLFEDVVPMNYMVYYNFFAFVLVPLLLMLGIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHPAKSLAIIVGLFALCCLPLNIINCFTFFCPECDHAPPWLMYLTIILSHGNSVVNPLIYAYRIREFRQTFRKIIRSHILRRRELFKAGGTSARASAAHSPEGEQVSLRLNGHPPGVWANGSALRPEQRPNGYVLGLVSGRSAQRSHGDASLSDVELLSHEHKGTCPESPSLEDPPAHGGAGVS
UniProt	P46616
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2605
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	1,3-Diethylxanthine
Molecular formula	C9H12N4O2
IUPAC name	1,3-diethyl-7H-purine-2,6-dione
Molecular weight	208.221
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.9
Synonyms	NSC-515479 1,3-Diethyl-3,7-dihydro-purine-2,6-dione 4550Q64O79 CTK8I9744 SC 2079 1,3-diethyl-xanthine AC1L2QSV GIMNFISWKTZFKJ-UHFFFAOYSA-N Xanthine, 1,3-diethyl- (8CI) 1H-Purine-2, 1,3-diethyl-3,7-dihydro- BDBM82021 NSC515479 1,3-diethyl-3,9-dihydro-1h-purine-2,6-dione 5169-95-9 CHEMBL416013 D02RMR SCHEMBL515564 AC1Q6LGQ NSC 515479 Xanthine,3-diethyl- 1,3-diethyl-1H-purine-2,6(3H,7H)-dione 1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro- (9CI) CAS_101420 NSC_101420 1,3-diethyl-7H-purine-2,6-dione CTK8D7769 DTXSID40199644 UNII-4550Q64O79 1,3-Diethylxantine AKOS030616954 [ Show all ]
Inchi Key	GIMNFISWKTZFKJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12N4O2/c1-3-12-7-6(10-5-11-7)8(14)13(4-2)9(12)15/h5H,3-4H2,1-2H3,(H,10,11)
PubChem CID	101420
ChEMBL	CHEMBL416013
IUPHAR	N/A
BindingDB	82021
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	3300.0 nM	PMID3806581	BindingDB,ChEMBL

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