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 DMFold 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

NameCHEMBL1192583
Molecular formulaC9H14N2O2
IUPAC name5-(4-methylpiperidin-4-yl)-1,2-oxazol-3-one
Molecular weight182.223
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP0.4
SynonymsCHEMBL543840
5-(4-Methyl-piperidin-4-yl)-isoxazol-3-ol; hydrobromide
BDBM50113822
3(2H)-Isoxazolone, 5-(4-methyl-4-piperidinyl)-
439944-41-9
[ Show all ]
Inchi KeyJEGDFKOGLTVGEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H14N2O2/c1-9(2-4-10-5-3-9)7-6-8(12)11-13-7/h6,10H,2-5H2,1H3,(H,11,12)
PubChem CID11118898
ChEMBLN/A
IUPHARN/A
BindingDB50113822
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
148807Gamma-aminobutyric acid type B receptor subunit 1Q9Z0U4Gabbr1Rattus norvegicus (Rat)991

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