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

NameCHEMBL555865
Molecular formulaC20H23ClFNO
IUPAC name1-[2-(4-chlorophenyl)ethyl]-4-[(4-fluorophenoxy)methyl]piperidine
Molecular weight347.858
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.4
Synonyms1-[2-(4-Chloro-phenyl)-ethyl]-4-(4-fluoro-phenoxymethyl)-piperidine; hydrochloride
BDBM50002221
ZINC13730099
4-[(4-Fluorophenoxy)methyl]-1-(p-chlorophenethyl)piperidine
CHEMBL1196084
Inchi KeyDHCOINUZJXKBOU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23ClFNO/c21-18-3-1-16(2-4-18)9-12-23-13-10-17(11-14-23)15-24-20-7-5-19(22)6-8-20/h1-8,17H,9-15H2
PubChem CID10427805
ChEMBLN/A
IUPHARN/A
BindingDB50002221
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
459772D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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