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 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

NameMLS001235955
Molecular formulaC24H25N3O5
IUPAC name2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetamide
Molecular weight435.48
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
Synonymscid_18562296
2-[1-[2-(diethylamino)-2-oxoethyl]-3-indolyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetamide
MCULE-1029675560
AKOS024619144
SMR000807222
[ Show all ]
Inchi KeyABBTYIZLBREAAO-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N3O5/c1-3-26(4-2)22(28)15-27-14-18(17-7-5-6-8-19(17)27)23(29)24(30)25-16-9-10-20-21(13-16)32-12-11-31-20/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,25,30)
PubChem CID18562296
ChEMBLCHEMBL1572705
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
727Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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