Zhang Lab

National University of Singapore

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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL144416
Molecular formula	C9H14N2O2
IUPAC name	4-methyl-5-piperidin-4-yl-1,2-oxazol-3-one
Molecular weight	182.223
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	0.2
Synonyms	3(2H)-Isoxazolone, 4-methyl-5-(4-piperidinyl)- BDBM50113803 4-Methyl-5-piperidin-4-yl-isoxazol-3-ol; hydrobromide D09EVY AKOS022705739 4-Methyl-5-(4-piperidinyl)isoxazole-3-ol 439944-42-0 BDBM50020029 4-Methyl-5-piperidin-4-yl-isoxazol-3-ol CHEMBL553129 [ Show all ]
Inchi Key	PACUXLHRGQUIQZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H14N2O2/c1-6-8(13-11-9(6)12)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3,(H,11,12)
PubChem CID	10797510
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50113803
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
254607	Gamma-aminobutyric acid type B receptor subunit 1	Q9Z0U4	Gabbr1	Rattus norvegicus (Rat)	991

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417