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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.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Adenosine receptor A3
Species	Homo sapiens (Human)
Gene	ADORA3
Synonym	ARA3 Adenosine receptor A3 A3AR A3 receptor TGPCR1
Disease	Cerebrovascular ischaemia Malaria Ischemia Inflammation Hepatocellular carcinoma; Hepatitis C virus infection Glaucoma Cancer [ Show all ]
Length	318
Amino acid sequence	MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProt	P0DMS8
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T36059
ChEMBL	CHEMBL256
IUPHAR	21
DrugBank	BE0000354

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	1-HYDROXY-2,3-DIMETHOXY-10-METHYL-9,10-DIHYDROACRIDIN-9-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-acridin-9-one 5489-57-6 Arborinin CHEMBL349609 SCHEMBL1663913 1-Hydroxy-2,3-dimethoxy-10-methyl-10H-acridin-9-one 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one 9(10H)-Acridinone,3-dimethoxy-10-methyl- ATBZZQPALSPNMF-UHFFFAOYSA-N NSC 94650 1-Hydroxy-2,3-dimethoxy-10-methyl-9-Acridanone 16XG8UE639 9-Acridanone,3-dimethoxy-10-methyl- CHEBI:2804 NSC681020 1-Hydroxy-2,3-dimethoxy-10-methylacridan-9-one 9(10H)-Acridinone, 1-hydroxy-2,3-dimethoxy-10-methyl- DTXSID60203378 UNII-16XG8UE639 1-Hydroxy-2,3-dimethoxy-10-methyl-9(10H)-acridinone 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-acridone AC1NQZ5U NSC94650 1-Hydroxy-2,3-dimethoxy-10-methylacridin-9(10H)-one 9(10H)-Acridinone, 1-hydroxy-2,3-dimethoxy-10-methyl- (9CI) Arbornine NSC 681020 ZINC5783606 [ 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
Displacement	63.0 %	PMID8576921	ChEMBL

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