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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.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL127167
Molecular formula	C7H8N4O2
IUPAC name	1-ethyl-3,7-dihydropurine-2,6-dione
Molecular weight	180.167
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	0.1
Synonyms	1-Ethyl-3,7-dihydro-purine-2,6-dione 1H-Purine-2,6-dione, 1-ethyl-3,7-dihydro- ethylxanthine BDBM50001517 1-Ethylxanthine CTK0D8111 SCHEMBL380135 1-ethyl-3,7-dihydro-1H-purine-2,6-dione 104285-81-6 DTXSID70579758 ACMC-20m72v SCHEMBL9240979 [ Show all ]
Inchi Key	KKWIVMCCCHOXGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C7H8N4O2/c1-2-11-6(12)4-5(9-3-8-4)10-7(11)13/h3H,2H2,1H3,(H,8,9)(H,10,13)
PubChem CID	15931307
ChEMBL	CHEMBL127167
IUPHAR	N/A
BindingDB	50001517
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	34000.0 nM	PMID1331453	BindingDB,ChEMBL

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