Home Research COVID-19 Services Publications People Teaching Job Opening News Forum -->
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 ●StarFunc ●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

NameMLS001110561
Molecular formulaC23H31N5O2
IUPAC nameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)acetamide
Molecular weight409.534
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.8
SynonymsMCULE-2289027071
AKOS022044758
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
CHEMBL1610505
CCG-140899
[ Show all ]
Inchi KeyAGCIPFGDZHAOGJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N5O2/c1-16-8-6-9-17(2)27(16)13-7-12-24-21(29)15-28-23(30)22-19(14-25-28)18-10-4-5-11-20(18)26(22)3/h4-5,10-11,14,16-17H,6-9,12-13,15H2,1-3H3,(H,24,29)
PubChem CID20891904
ChEMBLCHEMBL1610505
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
4747Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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