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

Name920317-71-1
Molecular formulaC18H21NO2
IUPAC nameN-[2-(3-methoxyphenyl)-3-phenylpropyl]acetamide
Molecular weight283.371
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.2
SynonymsAKOS030564801
CTK3H1689
DTXSID20582414
Acetamide, N-[2-(3-methoxyphenyl)-3-phenylpropyl]-
CHEMBL219127
[ Show all ]
Inchi KeyAVPVPCXCBSANDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21NO2/c1-14(20)19-13-17(11-15-7-4-3-5-8-15)16-9-6-10-18(12-16)21-2/h3-10,12,17H,11,13H2,1-2H3,(H,19,20)
PubChem CID16094591
ChEMBLCHEMBL219127
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15535Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
15534Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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