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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	3-isopropyl-1-methylxanthine
Molecular formula	C9H12N4O2
IUPAC name	1-methyl-3-propan-2-yl-7H-purine-2,6-dione
Molecular weight	208.221
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.8
Synonyms	3-isopropyl-1-methyl xanthine CTK0D9143 102284-72-0 3-Isopropyl-1-methyl-3,7-dihydro-purine-2,6-dione D0M7AX 1-methyl-3-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione ACMC-20m5ap 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(1-methylethyl)- CHEMBL26119 DTXSID50436895 1-Methyl-3-isopropylxanthine BDBM50025581 [ Show all ]
Inchi Key	ZBQTVZYXBOKEMJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12N4O2/c1-5(2)13-7-6(10-4-11-7)8(14)12(3)9(13)15/h4-5H,1-3H3,(H,10,11)
PubChem CID	10219934
ChEMBL	CHEMBL26119
IUPHAR	N/A
BindingDB	50025581
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	6000.0 nM	PMID3806581	BindingDB,ChEMBL

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