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

You can:

Ligand

Name898441-50-4
Molecular formulaC25H26N2O4
IUPAC name2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide
Molecular weight418.493
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
SynonymsCHEMBL1551526
MCULE-9733122527
AKOS024664205
SMR000811751
F2617-0686
[ Show all ]
Inchi KeyAFNZIVKRLNXSBG-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26N2O4/c1-18-13-20-9-5-6-10-22(20)27(18)15-21-14-23(28)24(16-30-21)31-17-25(29)26-12-11-19-7-3-2-4-8-19/h2-10,14,16,18H,11-13,15,17H2,1H3,(H,26,29)
PubChem CID16830117
ChEMBLCHEMBL1551526
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
4330Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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