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

NameMLS001235152
Molecular formulaC20H20FN3O4
IUPAC name1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methylphenyl)urea
Molecular weight385.395
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.9
SynonymsCHEMBL1360841
MolPort-003-129-692
HMS3011D14
AKOS024656617
MCULE-8539001897
[ Show all ]
Inchi KeyAAEZVFLSEIKXJQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20FN3O4/c1-12-2-3-13(8-16(12)21)22-20(26)23-14-9-19(25)24(11-14)15-4-5-17-18(10-15)28-7-6-27-17/h2-5,8,10,14H,6-7,9,11H2,1H3,(H2,22,23,26)
PubChem CID18572742
ChEMBLCHEMBL1360841
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
158Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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