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

Namespiperone
Molecular formulaC23H26FN3O2
IUPAC name8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight395.478
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.0
Synonyms1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorobenzoyl)propyl)-1-phenyl-
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-
1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorobenzoyl)propyl]-1-phenyl-
1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-
1,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorobenzoyl)propyl]-1-phenyl-
[ Show all ]
Inchi KeyDKGZKTPJOSAWFA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
PubChem CID5265
ChEMBLCHEMBL267930
IUPHAR3300, 99
BindingDB21397
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 62
Page:  / 4 

GLASS IDNameUniProtGeneSpeciesLength
622055-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
622175-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
622035-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
622345-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
5535585-hydroxytryptamine receptor 1BP28334Htr1bMus musculus (Mouse)386
622155-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
622305-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
622335-hydroxytryptamine receptor 1DP11614HTR1DCanis lupus familiaris (Dog)377
622355-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374
622025-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
622285-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
622115-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
622145-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
622245-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
622275-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
621915-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
621985-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
5557155-hydroxytryptamine receptor 2BQ02152Htr2bMus musculus (Mouse)479
622095-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
622265-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460

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