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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.
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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	Arborinine
Molecular formula	C16H15NO4
IUPAC name	1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
Molecular weight	285.299
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.3
Synonyms	AC1NQZ5U NSC94650 1-hydroxy-2,3-dimethoxy-10-methyl-9-acridone 9(10H)-Acridinone, 1-hydroxy-2,3-dimethoxy-10-methyl- (9CI) Arbornine NSC 681020 ZINC5783606 1-Hydroxy-2,3-dimethoxy-10-methylacridin-9(10H)-one 1-hydroxy-2,3-dimethoxy-N-methylacridone 9-Acridanone, 1-hydroxy-2,3-dimethoxy-10-methyl- (8CI) C10643 NSC-94650 1-HYDROXY-2,3-DIMETHOXY-10-METHYL-9,10-DIHYDROACRIDIN-9-ONE 5489-57-6 Arborinin CHEMBL349609 SCHEMBL1663913 1-hydroxy-2,3-dimethoxy-10-methyl-acridin-9-one 9(10H)-Acridinone,3-dimethoxy-10-methyl- ATBZZQPALSPNMF-UHFFFAOYSA-N NSC 94650 1-Hydroxy-2,3-dimethoxy-10-methyl-10H-acridin-9-one 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one 16XG8UE639 9-Acridanone,3-dimethoxy-10-methyl- CHEBI:2804 NSC681020 1-Hydroxy-2,3-dimethoxy-10-methyl-9-Acridanone 9(10H)-Acridinone, 1-hydroxy-2,3-dimethoxy-10-methyl- DTXSID60203378 UNII-16XG8UE639 1-Hydroxy-2,3-dimethoxy-10-methylacridan-9-one 1-Hydroxy-2,3-dimethoxy-10-methylacridone 9-Acridanone, 1-hydroxy-2,3-dimethoxy-10-methyl- BDBM50049390 NSC-681020 1-Hydroxy-2,3-dimethoxy-10-methyl-9(10H)-acridinone [ Show all ]
Inchi Key	ATBZZQPALSPNMF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3
PubChem CID	5281832
ChEMBL	CHEMBL349609
IUPHAR	N/A
BindingDB	50049390
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	6470.0 nM	PMID8576921	BindingDB
Ki	6470.0 nM	PMID8576921	ChEMBL

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