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

Name1-(4-methylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-5-oxopyrrolidine-3-carbohydrazide
Molecular formulaC18H19N3O2S
IUPAC name1-(4-methylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
Molecular weight341.429
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.6
SynonymsMLS000588222
842977-69-9
STL025647
MolPort-002-598-668
AKOS000341709
[ Show all ]
Inchi KeyAGHJQXVGJCDFDT-VXLYETTFSA-N
Inchi IDInChI=1S/C18H19N3O2S/c1-12-3-5-15(6-4-12)21-11-14(9-17(21)22)18(23)20-19-10-16-13(2)7-8-24-16/h3-8,10,14H,9,11H2,1-2H3,(H,20,23)/b19-10+
PubChem CID9634527
ChEMBLCHEMBL3191803
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
4873Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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