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 ●DMFold ●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

NameCHEMBL298335
Molecular formulaC13H15N3O4
IUPAC nameN-[2-(5-methoxy-6-nitro-1H-indol-3-yl)ethyl]acetamide
Molecular weight277.28
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.4
Synonyms313373-75-0
DTXSID10398223
Acetamide, N-[2-(5-methoxy-6-nitro-1H-indol-3-yl)ethyl]-
N-[2-(5-methoxy-6-nitro-1H-indol-3-yl)ethyl]acetamide
ZINC1514066
[ Show all ]
Inchi KeyBCLGLBCJLIBAHF-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H15N3O4/c1-8(17)14-4-3-9-7-15-11-6-12(16(18)19)13(20-2)5-10(9)11/h5-7,15H,3-4H2,1-2H3,(H,14,17)
PubChem CID3956219
ChEMBLCHEMBL298335
IUPHARN/A
BindingDB50112205
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
20288Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
20287Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218