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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 A2a
Species	Rattus norvegicus (Rat)
Gene	Adora2a
Synonym	A2-AR A2A receptor adenosine receptor A2a RDC8
Disease	N/A for non-human GPCRs
Length	410
Amino acid sequence	MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
UniProt	P30543
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	CHEMBL302
IUPHAR	19
DrugBank	N/A

Ligand

Name	(E)-8-(2,4-Dimethoxystyryl)-1,3-diethyl-7-methylxanthine
Molecular formula	C20H24N4O4
IUPAC name	8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
Molecular weight	384.436
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.5
Synonyms	1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,4-dimethoxyphenyl)ethenyl)-7-methyl-, (E)- LS-126707 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione SCHEMBL7313952 AC1O68NR 155271-03-7 CHEMBL73827 8-[(E)-2-(2,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione SCHEMBL7313967 BDBM50290172 [ Show all ]
Inchi Key	ATDDLHWKZVKABJ-PKNBQFBNSA-N
Inchi ID	InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)12-15(13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
PubChem CID	6448854
ChEMBL	CHEMBL73827
IUPHAR	N/A
BindingDB	50290172
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	57.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:18:2349	BindingDB,ChEMBL

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