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

NameCHEMBL194727
Molecular formulaC22H28FN3O2
IUPAC name4-fluoro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
Molecular weight385.483
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
Synonyms4-fluoro-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide
BDBM50172865
4-Fluoro-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-benzamide
Inchi KeyHGRPPZKIXIZLRX-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28FN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)
PubChem CID44403210
ChEMBLCHEMBL194727
IUPHARN/A
BindingDB50172865
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
1144405-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
114441D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
114437D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
114438D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
114439D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417