Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	5489-57-6 Arborinin CHEMBL349609 SCHEMBL1663913 1-hydroxy-2,3-dimethoxy-10-methyl-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-10H-acridin-9-one 16XG8UE639 9-Acridanone,3-dimethoxy-10-methyl- CHEBI:2804 NSC681020 1-Hydroxy-2,3-dimethoxy-10-methyl-9-Acridanone 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-methylacridone 9-Acridanone, 1-hydroxy-2,3-dimethoxy-10-methyl- BDBM50049390 NSC-681020 1-Hydroxy-2,3-dimethoxy-10-methyl-9(10H)-acridinone AC1NQZ5U NSC94650 1-hydroxy-2,3-dimethoxy-10-methyl-9-acridone 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 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 [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
13809	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
13808	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
442190	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417