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

NameMLS001125201
Molecular formulaC21H16N4O
IUPAC name6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
Molecular weight340.386
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.9
SynonymsAC1LI718
CHEMBL1557034
MolPort-001-636-302
HMS2994N14
ZINC477194
[ Show all ]
Inchi KeyAIJJIYOLVSGUIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H16N4O/c1-14-2-3-19-17(12-14)18(21(26)24-16-6-10-23-11-7-16)13-20(25-19)15-4-8-22-9-5-15/h2-13H,1H3,(H,23,24,26)
PubChem CID899146
ChEMBLCHEMBL1557034
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
6283Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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