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

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

NameCHEMBL3289383
Molecular formulaC19H22ClFN2OS
IUPAC name1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine
Molecular weight380.906
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50017975
Inchi KeyFIIJQHSUFMYWQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22ClFN2OS/c20-16-2-6-18(7-3-16)23-13-11-22(12-14-23)10-1-15-25(24)19-8-4-17(21)5-9-19/h2-9H,1,10-15H2
PubChem CID90644067
ChEMBLCHEMBL3289383
IUPHARN/A
BindingDB50017975
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
79054D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
79056D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
79053D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
79055D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
79052D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387

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