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

NameCHEMBL139418
Molecular formulaC18H17NO4
IUPAC nameN-[(6-methoxy-2-phenyl-1,4-benzodioxin-3-yl)methyl]acetamide
Molecular weight311.337
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsBTIYDRLBOALGSI-UHFFFAOYSA-N
n-[(7-methoxy-3-phenyl-1,4-benzodioxin-2-yl)methyl]acetamide
SCHEMBL7198597
BDBM50408568
Inchi KeyBTIYDRLBOALGSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17NO4/c1-12(20)19-11-17-18(13-6-4-3-5-7-13)23-15-9-8-14(21-2)10-16(15)22-17/h3-10H,11H2,1-2H3,(H,19,20)
PubChem CID15372705
ChEMBLCHEMBL139418
IUPHARN/A
BindingDB50408568
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
32376Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350

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