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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	1,3-Diisobutylxanthine
Molecular formula	C13H20N4O2
IUPAC name	1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
Molecular weight	264.329
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.8
Synonyms	3,7-Dihydro-1,3-bis(2-methylpropyl)-1H-purine-2,6-dione D0T6XM AC1MIMT3 Xanthine, 1,3-diisobutyl- DTXSID70213605 1,3-bis(2-methylpropyl)-7H-purine-2,6-dione BDBM50022731 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)- CHEMBL26350 63908-24-7 LS-126573 1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione BRN 1143460 [ Show all ]
Inchi Key	IPUAJXHKDUKOCH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)
PubChem CID	3048504
ChEMBL	CHEMBL26350
IUPHAR	N/A
BindingDB	50022731
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	1700.0 nM	PMID3806581	BindingDB,ChEMBL

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