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GLASS

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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	CHEMBL27155
Molecular formula	C17H20N4O3
IUPAC name	8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight	328.372
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.0
Synonyms	BDBM82010 NPC-205 1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine SCHEMBL1948455 94781-76-7 PDSP1_001134 8-(4-Hydroxy-phenyl)-1,3-dipropyl-3,9-dihydro-purine-2,6-dione BDBM50227340 PDSP2_001118 [ Show all ]
Inchi Key	GLDYYZLOHBXJBU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)
PubChem CID	135433923
ChEMBL	CHEMBL27155
IUPHAR	N/A
BindingDB	82010
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	50.0 nM	PMID2984420	BindingDB,ChEMBL

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