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

NameCHEMBL334466
Molecular formulaC21H24FNO
IUPAC name1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)propan-2-one
Molecular weight325.427
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.9
Synonyms1-(1-Benzyl-piperidin-4-yl)-3-(4-fluoro-phenyl)-propan-2-one; compound with but-2-enedioic acid
BDBM50002197
1-(4-Fluorophenyl)-3-(1-benzylpiperidin-4-yl)propan-2-one
CHEMBL1184142
Inchi KeyFYPKCXCUYFTOMN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24FNO/c22-20-8-6-17(7-9-20)14-21(24)15-18-10-12-23(13-11-18)16-19-4-2-1-3-5-19/h1-9,18H,10-16H2
PubChem CID10048935
ChEMBLN/A
IUPHARN/A
BindingDB50002197
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
460026D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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