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

NameMLS000390375
Molecular formulaC17H18Cl2N4O3
IUPAC name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
Molecular weight397.256
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsSMR000255342
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
AC1M9L9R
CHEMBL1374788
BDBM42061
[ Show all ]
Inchi KeyMRFCCGDBEJIXFA-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18Cl2N4O3/c1-3-11-6-4-5-7-13(11)21-14(24)9-22(2)15(25)10-23-17(26)16(19)12(18)8-20-23/h4-8H,3,9-10H2,1-2H3,(H,21,24)
PubChem CID2585250
ChEMBLCHEMBL1374788
IUPHARN/A
BindingDB42061
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
212351Galanin receptor type 2O43603GALR2Homo sapiens (Human)387
212353Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
212354Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
212352Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384

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