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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	1,3-Dipropylxanthine
Molecular formula	C11H16N4O2
IUPAC name	1,3-dipropyl-7H-purine-2,6-dione
Molecular weight	236.275
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.9
Synonyms	AC1Q6LGS FT-0667703 PDSP1_001233 1,3-dipropyl-xanthine ANW-66126 Cystic fibrosis therapy (CPX), SciClone L000861 PDSP2_001217 1,3-Dipropyl-1H-purine-2,6(3H,7H)-dione 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dipropyl- BDBM82032 DB-068477 PDSP1_000328 Z02T66W92D 1,3-Dipropyl-3,9-dihydro-purine-2,6-dione AJ-51820 CHEMBL157655 GTPL427 PDSP2_000326 AX8236472 D03KKK MJVIGUCNSRXAFO-UHFFFAOYSA-N SCHEMBL515771 1,3-dipropyl-3,7-dihydro-1h-purine-2,6-dione 31542-62-8 AC1L53IX CAS_169317 DTXSID00185447 PDSP1_000983 ZINC4654890 1,3-dipropyl-7H-purine-2,6-dione AKOS016004647 CTK4G7324 J-018455 PDSP2_000967 1,3-di-n-propylxanthine 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl- BDBM50227331 D0R3DN NSC_169317 UNII-Z02T66W92D 1,3-Dipropyl-3,7-dihydro-purine-2,6-dione [ Show all ]
Inchi Key	MJVIGUCNSRXAFO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
PubChem CID	169317
ChEMBL	CHEMBL157655
IUPHAR	427
BindingDB	82032
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	2700.0 nM	PMID2984420, PMID3806581	BindingDB,ChEMBL
Ki	3000.0 nM	PMID1331453	BindingDB,ChEMBL

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