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

NameCHEMBL1592400
Molecular formulaC19H22N2O2
IUPAC nameN-(3,5-dimethylphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
Molecular weight310.397
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.1
SynonymsMolPort-007-727-607
HMS1861C08
AKOS001874336
AKOS021619910
MCULE-7555268292
[ Show all ]
Inchi KeyAIEMEMPLXFSMLI-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N2O2/c1-4-16-12-21(17-7-5-6-8-18(17)23-16)19(22)20-15-10-13(2)9-14(3)11-15/h5-11,16H,4,12H2,1-3H3,(H,20,22)
PubChem CID16018055
ChEMBLCHEMBL1592400
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
6137Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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