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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	830-65-9
Molecular formula	C8H10N4O2
IUPAC name	1,3,8-trimethyl-7H-purine-2,6-dione
Molecular weight	194.194
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.4
Synonyms	2829AC AC1Q6LAN CHEMBL89062 MolPort-002-511-913 WLN: T56 BM DN FNVNVJ C1 F1 H1 1,3,8-trimethyl-3,9-dihydro-1h-purine-2,6-dione 8-Methyltheophyline AKOS016006781 D08GLJ NSC-14289 Xanthine, 1,3,8-trimethyl- (8CI) 1,8-Trimethyl-2,6-dioxopurine 1H-Purine-2,6-dione, 3,7-dihydro-1,3,8-trimethyl- (9CI) BDBM50020853 LS-149620 SCHEMBL461786 ZINC6962421 1,3,8-Trimethyl-2,6-dioxopurine 3,7-Dihydro-1,3,8-trimethyl-1H-purine-2,6-dione AJ-57061 CTK8C1834 MolPort-009-216-772 WZBKGWBHAPBSBF-UHFFFAOYSA-N 1,3,8-trimethyl-7H-purine-2,6-dione 8-methyltheophyllin ANW-67337 DTXSID10232118 NSC14289 Xanthine,3,8-trimethyl- 1,3,8-Trimethyl-1H-purine-2,6(3H,7H)-dione 1H-Purine-2, 3,7-dihydro-1,3,8-trimethyl- 1H-Purine-2,6-dione, 3,9-dihydro-1,3,8-trimethyl- AC1L3TFC MCULE-4413041944 Theophylline, 8-methyl- 1,3,8-Trimethyl-3,7-dihydro-purine-2,6-dione AKOS001036118 CTK8D7743 NSC 14289 Xanthine, 1,3,8-trimethyl- 1,3,8-trimethylxanthine 1H-Purine-2,6-dione, 3,7-dihydro-1,3,8-trimethyl- 8-Methyltheophylline AX8226745 FCH1191976 SCHEMBL12900061 Z56785048 1,3,8-trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione [ Show all ]
Inchi Key	WZBKGWBHAPBSBF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10N4O2/c1-4-9-5-6(10-4)11(2)8(14)12(3)7(5)13/h1-3H3,(H,9,10)
PubChem CID	95030
ChEMBL	CHEMBL89062
IUPHAR	N/A
BindingDB	50020853
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	34.0 %	PMID8410976	ChEMBL

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