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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR

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

You can:

Ligand

Name2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(2-morpholinoethyl)acetamide
Molecular formulaC20H21N3O4
IUPAC name2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
Molecular weight367.405
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.2
Synonyms325851-02-3
AC1MEQSG
BAS 00791809
CBMicro_027498
MLS000856024
[ Show all ]
Inchi KeyABZVMHMVMBBBNX-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N3O4/c24-17(21-7-8-22-9-11-27-12-10-22)13-23-19(25)15-5-1-3-14-4-2-6-16(18(14)15)20(23)26/h1-6H,7-13H2,(H,21,24)
PubChem CID2859630
ChEMBLCHEMBL1408014
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
1348Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
1347Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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