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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	CHEMBL368092
Molecular formula	C18H21N9O2
IUPAC name	2-(furan-2-yl)-5-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
Molecular weight	395.427
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	1.6
Synonyms	2-Furan-2-yl-N5-[1-(5-methyl-isoxazol-3-ylmethyl)-piperidin-4-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine BDBM50163418 SCHEMBL5418348
Inchi Key	ACTNRWABPDYOKF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21N9O2/c1-11-9-13(25-29-11)10-26-6-4-12(5-7-26)20-17-22-16(19)27-18(23-17)21-15(24-27)14-3-2-8-28-14/h2-3,8-9,12H,4-7,10H2,1H3,(H3,19,20,21,22,23,24)
PubChem CID	11383873
ChEMBL	CHEMBL368092
IUPHAR	N/A
BindingDB	50163418
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	270.0 nM	PMID15771443	BindingDB,ChEMBL

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