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

NameMLS003122084
Molecular formulaC24H24N4O4
IUPAC name4-[(3,5-dimethoxyphenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one
Molecular weight432.48
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.3
SynonymsCHEMBL2132482
SMR001276449
Inchi KeyAGTHYBJHCXERNU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24N4O4/c1-30-19-12-18(13-20(14-19)31-2)16-28-23(21-15-25-10-11-26-21)27-32-22(24(28)29)9-8-17-6-4-3-5-7-17/h3-7,10-15,22H,8-9,16H2,1-2H3
PubChem CID49778627
ChEMBLCHEMBL2132482
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
5187Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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