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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	CHEMBL279688
Molecular formula	C20H26N4O5S
IUPAC name	4-[1-(3-methylbutyl)-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]benzenesulfonic acid
Molecular weight	434.511
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.3
Synonyms	4-[(1-Isopentyl-3-isobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin)-8-yl]benzenesulfonic acid BDBM50018170 4-[3-Isobutyl-1-(3-methyl-butyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-benzenesulfonic acid
Inchi Key	JXMNUSHGVIUZOA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26N4O5S/c1-12(2)9-10-23-19(25)16-18(24(20(23)26)11-13(3)4)22-17(21-16)14-5-7-15(8-6-14)30(27,28)29/h5-8,12-13H,9-11H2,1-4H3,(H,21,22)(H,27,28,29)
PubChem CID	10094465
ChEMBL	CHEMBL279688
IUPHAR	N/A
BindingDB	50018170
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	PMID2984420	BindingDB,ChEMBL

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