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

NameSMR000207614
Molecular formulaC14H14N2O2
IUPAC name(E)-3-(1,3-dimethylpyrazol-4-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Molecular weight242.278
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.0
SynonymsMLS000585833
(2E)-3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
(E)-3-(1,3-dimethylpyrazol-4-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
AC1NYT2T
CHEMBL1520538
[ Show all ]
Inchi KeyABAWOOLKLLGUCV-VMPITWQZSA-N
Inchi IDInChI=1S/C14H14N2O2/c1-10-12(9-16(2)15-10)5-8-14(18)11-3-6-13(17)7-4-11/h3-9,17H,1-2H3/b8-5+
PubChem CID5865241
ChEMBLCHEMBL1520538
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
717Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463030Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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