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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-Isoamyl-3-isobutylxanthine
Molecular formula	C14H22N4O2
IUPAC name	1-(3-methylbutyl)-3-(2-methylpropyl)-7H-purine-2,6-dione
Molecular weight	278.356
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.1
Synonyms	3-Isobutyl-1-isoamylxanthine CTK5C0165 976SW405SB UNII-976SW405SB 1-(3-methylbutyl)-3-(2-methylpropyl)-7H-purine-2,6-dione 1H-Purine-2,6-dione,3,9-dihydro-1-(3-methylbutyl)-3-(2-methylpropyl)- DTXSID30213606 AC1L47J8 ZINC5114421 CHEMBL20613 3-Isobutyl-1-(3-methyl-butyl)-3,7-dihydro-purine-2,6-dione 63908-26-9 SCHEMBL10579248 BDBM50018154 1H-Purine-2,6-dione, 3,7-dihydro-1-(3-methylbutyl)-3-(2-methylpropyl)- [ Show all ]
Inchi Key	HRWQHFZQHIUCCC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H22N4O2/c1-9(2)5-6-17-13(19)11-12(16-8-15-11)18(14(17)20)7-10(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)
PubChem CID	152034
ChEMBL	CHEMBL20613
IUPHAR	N/A
BindingDB	50018154
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	<150000.0 nM	PMID2984420	BindingDB,ChEMBL

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