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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	CHEMBL25373
Molecular formula	C11H14N4O4
IUPAC name	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl acetate
Molecular weight	266.257
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	-0.6
Synonyms	2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl acetate 7-(beta-acetoxyethyl)theophylline DTXSID70659185 ACMC-20m0yg 96474-41-8 1H-Purine-2,6-dione, 7-[2-(acetyloxy)ethyl]-3,7-dihydro-1,3-dimethyl- BDBM50025567 7-(2-Acetoxyethyl)-1,3-dimethylxanthine CTK3F2593 Acetic acid 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester [ Show all ]
Inchi Key	CQKZJBMFMGGBHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14N4O4/c1-7(16)19-5-4-15-6-12-9-8(15)10(17)14(3)11(18)13(9)2/h6H,4-5H2,1-3H3
PubChem CID	44459944
ChEMBL	CHEMBL25373
IUPHAR	N/A
BindingDB	50025567
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	68000.0 nM	PMID3806581	BindingDB,ChEMBL

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