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	BAS 09529732
Molecular formula	C16H17N3O3
IUPAC name	1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
Molecular weight	299.33
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.2
Synonyms	AKOS000559747 SR-01000367787-1 CHEMBL1565208 ZINC815054 1-[(5-phenylisoxazol-3-yl)carbonyl]piperidine-4-carboxamide MolPort-001-604-588 SR-01000367787-2 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide HMS1694G02 AC1LM099 SR-01000367787 ST063306 1-(5-Phenyl-isoxazole-3-carbonyl)-piperidine-4-carboxylic acid amide MCULE-1560154433 [ Show all ]
Inchi Key	AZIDAIPMLWSEPN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17N3O3/c17-15(20)12-6-8-19(9-7-12)16(21)13-10-14(22-18-13)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,17,20)
PubChem CID	1093757
ChEMBL	CHEMBL1565208
IUPHAR	N/A
BindingDB	N/A
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
18174	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
18173	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
18175	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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