Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameSMR000146399
Molecular formulaC23H24N2O4
IUPAC name1-(2-hydroxyethylamino)-2-(3-methylpiperidine-1-carbonyl)anthracene-9,10-dione
Molecular weight392.455
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.5
SynonymsAC1MSII8
MLS000554082
CHEMBL1526322
MolPort-000-840-807
HMS2305C14
[ Show all ]
Inchi KeyAEXOGGYTSSLKPK-UHFFFAOYSA-N
Inchi IDInChI=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 CID3534891
ChEMBLCHEMBL1526322
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463362Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218