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

NameCHEMBL21992
Molecular formulaC31H31N3O3
IUPAC name(E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzoylpiperidin-4-yl)-3-phenylprop-2-enamide
Molecular weight493.607
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.5
SynonymsSCHEMBL4838896
BDBM50140472
SCHEMBL4838882
(E)-N-(1-Acetyl-2,3-dihydro-1H-indol-6-yl)-N-(1-benzoyl-piperidin-4-yl)-3-phenyl-acrylamide
Inchi KeyAVCABACOWGQOCC-NTCAYCPXSA-N
Inchi IDInChI=1S/C31H31N3O3/c1-23(35)33-21-16-25-13-14-28(22-29(25)33)34(30(36)15-12-24-8-4-2-5-9-24)27-17-19-32(20-18-27)31(37)26-10-6-3-7-11-26/h2-15,22,27H,16-21H2,1H3/b15-12+
PubChem CID11306461
ChEMBLCHEMBL21992
IUPHARN/A
BindingDB50140472
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
15168Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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