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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Adenosine receptor A2a
Species	Rattus norvegicus (Rat)
Gene	Adora2a
Synonym	A2-AR A2A receptor adenosine receptor A2a RDC8
Disease	N/A for non-human GPCRs
Length	410
Amino acid sequence	MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
UniProt	P30543
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	CHEMBL302
IUPHAR	19
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	FT-0667703 PDSP1_001233 1,3-dipropyl-xanthine AC1Q6LGS 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- ANW-66126 BDBM82032 DB-068477 PDSP1_000328 Z02T66W92D 1,3-Dipropyl-3,9-dihydro-purine-2,6-dione CHEMBL157655 GTPL427 PDSP2_000326 AJ-51820 AX8236472 D03KKK MJVIGUCNSRXAFO-UHFFFAOYSA-N SCHEMBL515771 1,3-dipropyl-3,7-dihydro-1h-purine-2,6-dione 31542-62-8 CAS_169317 DTXSID00185447 PDSP1_000983 ZINC4654890 1,3-dipropyl-7H-purine-2,6-dione AC1L53IX CTK4G7324 J-018455 PDSP2_000967 1,3-di-n-propylxanthine 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl- AKOS016004647 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	2600.0 nM	PMID8410976	BindingDB,ChEMBL

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