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

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
SynonymsSMR000272321
1-[3-(4-methoxyphenyl)acryloyl]-1,2,3,4-tetrahydroquinoline
(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
AC1LI5ND
cid_898165
[ 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

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