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

NameCHEMBL489618
Molecular formulaC21H26FNO3
IUPAC name(2,3-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanol
Molecular weight359.441
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50267599
(2,3-Dimethoxyphenyl)-(1-(p-fluorobenzyl)-piperidine-4-yl)-methanol
Inchi KeyACARRFRVNJRYJL-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26FNO3/c1-25-19-5-3-4-18(21(19)26-2)20(24)16-10-12-23(13-11-16)14-15-6-8-17(22)9-7-15/h3-9,16,20,24H,10-14H2,1-2H3
PubChem CID18734925
ChEMBLCHEMBL489618
IUPHARN/A
BindingDB50267599
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
13855-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471

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