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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 A1
Species	Rattus norvegicus (Rat)
Gene	Adora1
Synonym	A1 receptor A1-AR A1R adenosine receptor A1 RDC7
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProt	P25099
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	CHEMBL318
IUPHAR	18
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	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 ZINC5783606 1-Hydroxy-2,3-dimethoxy-10-methylacridin-9(10H)-one 9(10H)-Acridinone, 1-hydroxy-2,3-dimethoxy-10-methyl- (9CI) Arbornine NSC 681020 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 [ 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	12700.0 nM	PMID8576921	BindingDB,ChEMBL

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