Zhang Lab

National University of Singapore

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

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred ●TCRfinder

●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 ●DeepMSA2 ●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	SMR000146399
Molecular formula	C23H24N2O4
IUPAC name	1-(2-hydroxyethylamino)-2-(3-methylpiperidine-1-carbonyl)anthracene-9,10-dione
Molecular weight	392.455
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.5
Synonyms	1-(2-Hydroxy-ethylamino)-2-(3-methyl-piperidine-1-carbonyl)-anthraquinone CHEMBL1526322 SR-01000119582 1-[(2-hydroxyethyl)amino]-2-[(3-methylpiperidin-1-yl)carbonyl]anthracene-9,10-dione MCULE-7132466053 AKOS022027643 MolPort-000-840-807 1-(2-hydroxyethylamino)-2-(3-methylpiperidine-1-carbonyl)anthracene-9,10-dione EU-0021251 SR-01000119582-1 AC1MSII8 MLS-0074825.0001 1-[(2-hydroxyethyl)amino]-2-[(3-methylpiperidin-1-yl)carbonyl]anthra-9,10-quinone HMS2305C14 STK838465 AKOS001777430 MLS000554082 [ Show all ]
Inchi Key	AEXOGGYTSSLKPK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24N2O4/c1-14-5-4-11-25(13-14)23(29)18-9-8-17-19(20(18)24-10-12-26)22(28)16-7-3-2-6-15(16)21(17)27/h2-3,6-9,14,24,26H,4-5,10-13H2,1H3
PubChem CID	3534891
ChEMBL	CHEMBL1526322
IUPHAR	N/A
BindingDB	N/A
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
463362	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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