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 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

NameMoperone
Molecular formulaC22H26FNO2
IUPAC name1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]butan-1-one
Molecular weight355.453
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.0
SynonymsNSC_4249
ZINC538026
1-(3'-p-Fluorobenzoylpropyl)-4-hydroxy-4-p-tolylpiperidine
4'-Fluoro-4-(4-hydroxy-4-p-tolylpiperidino)butyrophenone
Butyrophenone, 4'-fluoro-4-(4-hydroxy-4-p-tolylpiperidino)-
[ Show all ]
Inchi KeyAGAHNABIDCTLHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3
PubChem CID4249
ChEMBLN/A
IUPHARN/A
BindingDB81486
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4686D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
4687D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
555499D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444
555500D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
4688D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
4685D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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