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

Nameparoxetine
Molecular formulaC19H20FNO3
IUPAC name(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
Molecular weight329.371
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.5
SynonymsPiperidine,3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S,4R)-
C19H20FNO3
Seroxat (TN)
D02362
UNII-41VRH5220H
[ Show all ]
Inchi KeyAHOUBRCZNHFOSL-YOEHRIQHSA-N
Inchi IDInChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
PubChem CID43815
ChEMBLCHEMBL490
IUPHARN/A
BindingDB22416
DrugBankDB00715

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 27
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
57655-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
57665-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
57675-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
57705-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
57755-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
57685-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
57625-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
57715-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
5776Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
555504Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
5773Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
5772Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
459275Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
5758D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
5774D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
555505D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
555506D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
5754Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
5761Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
5764Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488

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