Zhang Lab

University of Michigan

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

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	SMR000023524
Molecular formula	C17H26N2O2
IUPAC name	N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide
Molecular weight	290.407
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.2
Synonyms	N,N-dicyclohexyl(5-methylisoxazol-3-yl)carboxamide SR-01000105088-4 ChemDiv3_008311 N,N-dicyclohexyl-5-methyl-isoxazole-3-carboxamide AKOS001800287 HMS1496J17 MCULE-4482829629 SR-01000105088 N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide ST50593938 cid_3245758 N,N-dicyclohexyl-5-methylisoxazole-3-carboxamide BDBM37337 HMS2432B18 MLS000087301 SR-01000105088-1 CHEMBL1369793 N,N-dicyclohexyl-5-methyl-3-isoxazolecarboxamide ZINC2497926 AC1MMX1E EU-0023704 IDI1_026221 BRD-K55535892-001-01-3 [ Show all ]
Inchi Key	ACAPZKCRDPYIJW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H26N2O2/c1-13-12-16(18-21-13)17(20)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3
PubChem CID	3245758
ChEMBL	CHEMBL1369793
IUPHAR	N/A
BindingDB	37337
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
1373	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
1374	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
1372	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378
1375	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384

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