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

NameSMR000066781
Molecular formulaC24H33N3O6
IUPAC nameN-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
Molecular weight459.543
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.3
SynonymsMLS000054847
AC1MH9K2
MLS000864037
MLS001175393
CHEMBL1455428
[ Show all ]
Inchi KeyAEOGJXIXYQVIDD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H33N3O6/c1-5-31-20-15-18(27-9-12-30-13-10-27)21(32-6-2)14-17(20)25-24(29)22(16(3)4)26-23(28)19-8-7-11-33-19/h7-8,11,14-16,22H,5-6,9-10,12-13H2,1-4H3,(H,25,29)(H,26,28)
PubChem CID2998439
ChEMBLCHEMBL1455428
IUPHARN/A
BindingDBN/A
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
3682Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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