Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL1940403
Molecular formulaC20H23ClFNOS
IUPAC name4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-ol
Molecular weight379.918
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.1
SynonymsSCHEMBL11864402
BDBM50362867
4-(4-Chlorophenyl)-1-[3-[(4-fluorophenyl)thio]propyl]-4-piperidinol
34933-71-6
Inchi KeyFGTGRXMIFIZGBG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
PubChem CID21533446
ChEMBLCHEMBL1940403
IUPHARN/A
BindingDB50362867
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
780645-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
780625-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4447645-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
780615-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
4447635-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
444760D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
444762D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
78063D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
78065D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
78060D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
444761Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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