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

NameMLS000673026
Molecular formulaC19H19NO2
IUPAC name(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Molecular weight293.366
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.7
SynonymsAKOS002707197
MolPort-020-016-972
(2E)-3-(4-methoxyphenyl)-1-(1,2,3,4-tetrahydroquinolyl)prop-2-en-1-one
CHEMBL1509308
SR-01000256907-1
[ Show all ]
Inchi KeyADQXDHGIQDUODD-JLHYYAGUSA-N
Inchi IDInChI=1S/C19H19NO2/c1-22-17-11-8-15(9-12-17)10-13-19(21)20-14-4-6-16-5-2-3-7-18(16)20/h2-3,5,7-13H,4,6,14H2,1H3/b13-10+
PubChem CID898165
ChEMBLCHEMBL1509308
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2989Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463235Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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