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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameMELPERONE
Molecular formulaC16H22FNO
IUPAC name1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one
Molecular weight263.356
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.3
Synonyms1-(4-Fluorophenyl)-4-(4-methyl-1-piperidinyl)-1-butanone
1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one
1622-79-3 (hydrochloride)
3575-80-2
4'-Fluor-4-(4-methylpiperidino)-butyrophenone
[ Show all ]
Inchi KeyDKMFBWQBDIGMHM-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3
PubChem CID15387
ChEMBLN/A
IUPHARN/A
BindingDB81771
DrugBankDB09224

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 21
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
624105-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
624195-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
624085-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5557185-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
624115-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
624165-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
624045-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
5557205-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
555719Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
62412Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
62407D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
555717D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
62406D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
62405D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
62414D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
62415Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
62413Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
62417Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
62409Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
62418Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479

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