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

NameMLS000588327
Molecular formulaC20H16N4OS
IUPAC name(E)-2-cyano-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-prop-2-enylprop-2-enamide
Molecular weight360.435
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
SynonymsSMR000212142
(E)-2-cyano-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-prop-2-enylprop-2-enamide
(E)-N-Allyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-acrylamide
AC1LYM5Z
MLS000390287
[ Show all ]
Inchi KeyHTSQIHHCUYPOOO-NTCAYCPXSA-N
Inchi IDInChI=1S/C20H16N4OS/c1-2-10-22-20(25)15(13-21)12-16-14-24(17-7-4-3-5-8-17)23-19(16)18-9-6-11-26-18/h2-9,11-12,14H,1,10H2,(H,22,25)/b15-12+
PubChem CID1902746
ChEMBLCHEMBL1408432
IUPHARN/A
BindingDB41949
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
123851Galanin receptor type 2O43603GALR2Homo sapiens (Human)387

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