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

NameMLS001105133
Molecular formulaC24H32N4O4
IUPAC name(2,6-dimethoxypyridin-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
Molecular weight440.544
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.1
SynonymsCHEMBL1563053
MolPort-019-805-587
HMS2950L08
MCULE-4944536853
SMR000655419
[ Show all ]
Inchi KeyABZBQIFXTFJTAK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H32N4O4/c1-30-21-9-5-4-8-20(21)27-15-13-26(14-16-27)18-7-6-12-28(17-18)24(29)19-10-11-22(31-2)25-23(19)32-3/h4-5,8-11,18H,6-7,12-17H2,1-3H3
PubChem CID24791673
ChEMBLCHEMBL1563053
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
1326Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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