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

NameCHEMBL204606
Molecular formulaC24H35N3O2
IUPAC name1-[3-(4-cyclohexyloxyphenoxy)propyl]-4-(1H-imidazol-5-ylmethyl)piperidine
Molecular weight397.563
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50177532
4-((1H-imidazol-4-yl)methyl)-1-(3-(4-(cyclohexyloxy)phenoxy)propyl)piperidine
Inchi KeyAJNLTWVTQIDWLF-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H35N3O2/c1-2-5-23(6-3-1)29-24-9-7-22(8-10-24)28-16-4-13-27-14-11-20(12-15-27)17-21-18-25-19-26-21/h7-10,18-20,23H,1-6,11-17H2,(H,25,26)
PubChem CID44407893
ChEMBLCHEMBL204606
IUPHARN/A
BindingDB50177532
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
7069Histamine H3 receptorQ9JI35HRH3Cavia porcellus (Guinea pig)445

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