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

NameCHEMBL233516
Molecular formulaC16H22N2O2
IUPAC nameN-[2-(5-methoxy-1,7-dimethylindol-3-yl)ethyl]propanamide
Molecular weight274.364
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.4
SynonymsN/A
Inchi KeyCEODAXGMKGFRFM-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H22N2O2/c1-5-15(19)17-7-6-12-10-18(3)16-11(2)8-13(20-4)9-14(12)16/h8-10H,5-7H2,1-4H3,(H,17,19)
PubChem CID44429445
ChEMBLCHEMBL233516
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
40097Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
40096Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362
40095Melatonin receptor type 1CP49219mtnr1cXenopus laevis (African clawed frog)420

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