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GLASS

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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	2-(1-hexynyl)adenosine
Molecular formula	C16H21N5O4
IUPAC name	(2R,3R,4S,5R)-2-(6-amino-2-hex-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	347.375
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.3
Synonyms	(2R,3R,4S,5R)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol SCHEMBL5359016 AHJRSKVOELIMOX-RVXWVPLUSA-N (2R,3R,4S,5R)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CHEMBL319387 BDBM50119168 (2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol CTK5G8155 adenosine, 2-(1-hexynyl)- [ Show all ]
Inchi Key	AHJRSKVOELIMOX-RVXWVPLUSA-N
Inchi ID	InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
PubChem CID	10020580
ChEMBL	CHEMBL319387
IUPHAR	N/A
BindingDB	50119168
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	79.0 nM	PMID8863798	BindingDB
EC50	79.2 nM	PMID8863798	ChEMBL
Ki	2.2 nM	PMID12270178, PMID8863798	BindingDB,ChEMBL
Ki	2.4 nM	PMID1495019	BindingDB
Ki	6.0 nM	PMID11784146	ChEMBL

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