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 DMFold 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

NameCHEMBL256492
Molecular formulaC21H27FN2O3
IUPAC name1-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
Molecular weight374.456
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50373708
Inchi KeyFKHJOYFNYFVDRF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27FN2O3/c1-25-19-6-4-3-5-18(19)24-12-10-23(11-13-24)16-17-7-8-20(27-14-9-22)21(15-17)26-2/h3-8,15H,9-14,16H2,1-2H3
PubChem CID44454735
ChEMBLCHEMBL256492
IUPHARN/A
BindingDB50373708
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
804575-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
80456D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
80458D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
80459D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
523870D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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