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

NameCHEMBL136381
Molecular formulaC18H21FN2O
IUPAC name4-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]pyridine
Molecular weight300.377
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.2
SynonymsCHEMBL1180648
ZINC14953
4-[(4-Fluorophenoxy)methyl]-1-(4-pyridinylmethyl)piperidine
BDBM50002236
SCHEMBL7335232
[ Show all ]
Inchi KeyFCTXVIRWLWVYPI-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21FN2O/c19-17-1-3-18(4-2-17)22-14-16-7-11-21(12-8-16)13-15-5-9-20-10-6-15/h1-6,9-10,16H,7-8,11-14H2
PubChem CID10447534
ChEMBLN/A
IUPHARN/A
BindingDB50002236
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
459908D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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