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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	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	CHEMBL67060
Molecular formula	C11H15ClN4O2
IUPAC name	7-(4-chlorobutyl)-1,3-dimethylpurine-2,6-dione
Molecular weight	270.717
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.8
Synonyms	1H-Purine-2,6-dione, 7-(4-chlorobutyl)-3,7-dihydro-1,3-dimethyl- 7-(4-Chloro-butyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione SCHEMBL10653255 BDBM50113246 CTK1E6871 7-(4-Chlorobutyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 59663-15-9 DTXSID40472489 7-(4-chlorobutyl)theophylline [ Show all ]
Inchi Key	KQPGPPWKOYOFAY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H15ClN4O2/c1-14-9-8(10(17)15(2)11(14)18)16(7-13-9)6-4-3-5-12/h7H,3-6H2,1-2H3
PubChem CID	11780616
ChEMBL	CHEMBL67060
IUPHAR	N/A
BindingDB	50113246
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	33300.0 nM	PMID12014951	BindingDB,ChEMBL

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