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 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

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

You can:

Ligand

NameBAS 00429920
Molecular formulaC22H20N2O4
IUPAC name6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
Molecular weight376.412
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsCHEMBL1424527
SR-01000311092-1
6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
MolPort-001-932-244
SMR000514023
[ Show all ]
Inchi KeyFSDVCBDDRPLDOH-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20N2O4/c1-23(12-13-25)17-11-10-16-20-14(17)6-5-7-15(20)21(26)24(22(16)27)18-8-3-4-9-19(18)28-2/h3-11,25H,12-13H2,1-2H3
PubChem CID1101818
ChEMBLCHEMBL1424527
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
85991Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
85992Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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