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

Name920317-82-4
Molecular formulaC19H21NO3
IUPAC nameN-[3,3-bis(3-methoxyphenyl)prop-2-enyl]acetamide
Molecular weight311.381
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.5
SynonymsDTXSID80582410
Acetamide, N-[3,3-bis(3-methoxyphenyl)-2-propen-1-yl]-
CHEMBL218225
N-[3,3-Bis(3-methoxyphenyl)prop-2-en-1-yl]acetamide
AKOS030564983
[ Show all ]
Inchi KeyBZHIFCBOSAEOKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21NO3/c1-14(21)20-11-10-19(15-6-4-8-17(12-15)22-2)16-7-5-9-18(13-16)23-3/h4-10,12-13H,11H2,1-3H3,(H,20,21)
PubChem CID16094586
ChEMBLCHEMBL218225
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
36456Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
36457Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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