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GLASS

You can:

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	Oprea1_100136
Molecular formula	C14H14N4O2
IUPAC name	1,3,7-trimethyl-8-phenylpurine-2,6-dione
Molecular weight	270.292
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.6
Synonyms	BDBM50018171 ZINC12405606 1,3,7-trimethyl-8-phenyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione CTK2A5937 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-phenyl- 6439-88-9 SCHEMBL4146728 1,3,7-Trimethyl-8-phenyl-3,7-dihydro-purine-2,6-dione DTXSID10485465 3IGY251T33 8-phenylcaffeine UNII-3IGY251T33 CHEMBL21053 1,3,7-Trimethyl-8-phenylxanthine [ Show all ]
Inchi Key	MBYIBRUTNFFDFL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3
PubChem CID	12295531
ChEMBL	CHEMBL21053
IUPHAR	N/A
BindingDB	50018171
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	27000.0 nM	PMID27836398, PMID2984420	BindingDB,ChEMBL

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