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

NameCHEMBL270408
Molecular formulaC20H25FN2O2
IUPAC name1-[[3-(2-fluoroethoxy)phenyl]methyl]-4-(2-methoxyphenyl)piperazine
Molecular weight344.43
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50373710
Inchi KeyFTRMVNZQPKCUAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25FN2O2/c1-24-20-8-3-2-7-19(20)23-12-10-22(11-13-23)16-17-5-4-6-18(15-17)25-14-9-21/h2-8,15H,9-14,16H2,1H3
PubChem CID44454711
ChEMBLCHEMBL270408
IUPHARN/A
BindingDB50373710
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
869995-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
87001D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
86998D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
87000D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
524047D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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