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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	Mus musculus (Mouse)
Gene	Adora2a
Synonym	A2-AR A2A receptor adenosine receptor A2a RDC8
Disease	N/A for non-human GPCRs
Length	410
Amino acid sequence	MGSSVYIMVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGMRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDENSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCQHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFRAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSAPHSGRRPNGYTLGPGGGGSTQGSPGDVELLTQEHQEGQEHPGLGDHLAQGRVGTASWSSEFAPS
UniProt	Q60613
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	CHEMBL2115
IUPHAR	19
DrugBank	N/A

Ligand

Name	CHEMBL368872
Molecular formula	C27H27ClN6O3
IUPAC name	(1R,2R,3S,4R,5S)-4-[2-chloro-6-(2,2-diphenylethylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	519.002
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	3.3
Synonyms	1N-methyl-4-[2-chloro-6-(2,2-diphenylethylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide CHEMBL2368366 (1S,2R,3S,4R,5S)-4-(2-chloro-6-(2,2-diphenylethylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide BDBM50163031
Inchi Key	GSEPPCKOQUMRLH-ISRHKJNMSA-N
Inchi ID	InChI=1S/C27H27ClN6O3/c1-29-25(37)27-12-18(27)20(21(35)22(27)36)34-14-31-19-23(32-26(28)33-24(19)34)30-13-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-18,20-22,35-36H,12-13H2,1H3,(H,29,37)(H,30,32,33)/t18-,20-,21+,22+,27-/m1/s1
PubChem CID	73349920
ChEMBL	CHEMBL2368366
IUPHAR	N/A
BindingDB	50163031
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1810.0 nM	PMID18424135	BindingDB,ChEMBL

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