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 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

NameIFLab1_004408
Molecular formulaC19H23NO2S
IUPAC nameN-[(4-methoxyphenyl)methyl]-3-[(2-methylphenyl)methylsulfanyl]propanamide
Molecular weight329.458
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.4
SynonymsMolPort-007-927-862
HMS2705J07
N-[(4-methoxyphenyl)methyl]-3-[(2-methylphenyl)methylsulfanyl]propanamide
AC1N8MTN
MCULE-5394487749
[ Show all ]
Inchi KeyAAEXESBLHLXYCD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23NO2S/c1-15-5-3-4-6-17(15)14-23-12-11-19(21)20-13-16-7-9-18(22-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,20,21)
PubChem CID4346256
ChEMBLCHEMBL1430828
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
154Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417