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

NameCHEMBL3289642
Molecular formulaC21H22ClFN2O
IUPAC name2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-2,3-dihydroinden-1-one
Molecular weight372.868
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50017966
Inchi KeyJLUQWCZYPJKNMK-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22ClFN2O/c22-17-1-4-19(5-2-17)25-11-9-24(10-12-25)8-7-15-13-16-14-18(23)3-6-20(16)21(15)26/h1-6,14-15H,7-13H2
PubChem CID90644058
ChEMBLCHEMBL3289642
IUPHARN/A
BindingDB50017966
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
153990D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
153991D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
153988D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
153989D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
153992D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387

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