Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR EM-Refiner

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 CASP14

You can:

Ligand

NameCHEMBL1940404
Molecular formulaC20H23ClFNO2
IUPAC name4-(4-chlorophenyl)-1-[3-(4-fluorophenoxy)propyl]piperidin-4-ol
Molecular weight363.857
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.6
Synonyms1-[3-(p-fluorophenoxy)-propyl]-4-(p-chlorophenyl)-4-hydroxypiperidine
BDBM50362868
JPTSMZMSIACDAD-UHFFFAOYSA-N
SCHEMBL11844101
Inchi KeyJPTSMZMSIACDAD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23ClFNO2/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 CID21527771
ChEMBLCHEMBL1940404
IUPHARN/A
BindingDB50362868
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
1568875-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1568855-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4478915-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
4478905-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
4478925-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
447894D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
447889D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
156886D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
156889D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
156888D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
447893Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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