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

NameMLS000536709
Molecular formulaC14H13NO2
IUPAC name(E)-3-(3-methoxyphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
Molecular weight227.263
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.8
SynonymsSMR000155577
(E)-3-(3-methoxyphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
AC1NYMBK
CHEMBL1586994
BDBM49471
[ Show all ]
Inchi KeyAFIWQAOOUPKHRP-BQYQJAHWSA-N
Inchi IDInChI=1S/C14H13NO2/c1-17-12-5-2-4-11(10-12)7-8-14(16)13-6-3-9-15-13/h2-10,15H,1H3/b8-7+
PubChem CID5859537
ChEMBLCHEMBL1586994
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
463400Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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