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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.
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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	3IGY251T33 DTXSID10485465 8-phenylcaffeine UNII-3IGY251T33 1,3,7-Trimethyl-8-phenylxanthine CHEMBL21053 1,3,7-trimethyl-8-phenyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione BDBM50018171 ZINC12405606 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-phenyl- CTK2A5937 6439-88-9 SCHEMBL4146728 1,3,7-Trimethyl-8-phenyl-3,7-dihydro-purine-2,6-dione [ 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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