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

NameVolinanserin
Molecular formulaC22H28FNO3
IUPAC name(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
Molecular weight373.468
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsMdl 100,907
MolPort-003-850-862
UNII-EW71EE171J
(R)-(+)-?-(2,3-Dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperinemethanol
(R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol
[ Show all ]
Inchi KeyHXTGXYRHXAGCFP-OAQYLSRUSA-N
Inchi IDInChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1
PubChem CID5311271
ChEMBLCHEMBL74355
IUPHAR185
BindingDB50095027
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 14
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1266405-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1266375-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1266385-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
1266435-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1266415-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
1266445-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1266395-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
126646Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
126647D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
126645D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
126642D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
555982D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
555983D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
126636Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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