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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	1,7-Dimethyl-3-isobutylxanthine
Molecular formula	C11H16N4O2
IUPAC name	1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione
Molecular weight	236.275
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.3
Synonyms	DTXSID00321929 AKOS028113744 SCHEMBL1200300 1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione CHEMBL25096 3-Isobutyl-1,7-dimethyl-3,7-dihydro-purine-2,6-dione 7464-84-8 NSC-400043 BDBM50025575 ZINC13212561 CTK5E0201 464D848 AC1L7YS2 NSC400043 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-3-(2-methylpropyl)- [ Show all ]
Inchi Key	GJZLMIMXCYMPSI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H16N4O2/c1-7(2)5-15-9-8(13(3)6-12-9)10(16)14(4)11(15)17/h6-7H,5H2,1-4H3
PubChem CID	343637
ChEMBL	CHEMBL25096
IUPHAR	N/A
BindingDB	50025575
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	7000.0 nM	PMID3806581	BindingDB,ChEMBL

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