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

Name5-ethyl-N'-[(2-methyl-1H-indol-3-yl)methylene]-3-thiophenecarbohydrazide
Molecular formulaC17H17N3OS
IUPAC name5-ethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide
Molecular weight311.403
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.9
SynonymsAKOS003293506
ST50831799
MLS000700986
5-ethyl-N'-[(E)-(2-methyl-1H-indol-3-yl)methylidene]thiophene-3-carbohydrazide
AC1OA1ZW
[ Show all ]
Inchi KeyAIFQGBJZIGNMCC-GIJQJNRQSA-N
Inchi IDInChI=1S/C17H17N3OS/c1-3-13-8-12(10-22-13)17(21)20-18-9-15-11(2)19-16-7-5-4-6-14(15)16/h4-10,19H,3H2,1-2H3,(H,20,21)/b18-9+
PubChem CID135401423
ChEMBLCHEMBL3194903
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
557453Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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