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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	MRS-1042
Molecular formula	C24H28O5
IUPAC name	2-phenyl-3,5,7-tripropoxychromen-4-one
Molecular weight	396.483
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	6.0
Synonyms	3,5,7-Tripropyloxyflavone GTPL393 SCHEMBL1664122 2-phenyl-3,5,7-tripropoxy-chromen-4-one CHEMBL76273 BDBM50051337 2-phenyl-3,5,7-tripropoxychromen-4-one D0XC9U 45382-EP2311806A2 MRS1042 [ Show all ]
Inchi Key	ABZJCSJCNNCZRY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28O5/c1-4-12-26-18-15-19(27-13-5-2)21-20(16-18)29-23(17-10-8-7-9-11-17)24(22(21)25)28-14-6-3/h7-11,15-16H,4-6,12-14H2,1-3H3
PubChem CID	10500941
ChEMBL	CHEMBL76273
IUPHAR	393
BindingDB	50051337
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3236.0 nM	PMID9438021	BindingDB
pKi(uM)	-0.51 -	PMID9438021	ChEMBL

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