Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

Name2-(4-fluorobenzyl)-6-(4-methylstyryl)-3(2H)-pyridazinone
Molecular formulaC20H17FN2O
IUPAC name2-[(4-fluorophenyl)methyl]-6-[(E)-2-(4-methylphenyl)ethenyl]pyridazin-3-one
Molecular weight320.367
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.8
SynonymsAC1NWM2K
ZINC4060011
12K-310S
CHEMBL1467117
2-[(4-fluorophenyl)methyl]-6-[(E)-2-(4-methylphenyl)ethenyl]pyridazin-3-one
[ Show all ]
Inchi KeyAAMSNXJTQPSNDL-DHZHZOJOSA-N
Inchi IDInChI=1S/C20H17FN2O/c1-15-2-4-16(5-3-15)8-11-19-12-13-20(24)23(22-19)14-17-6-9-18(21)10-7-17/h2-13H,14H2,1H3/b11-8+
PubChem CID5708066
ChEMBLCHEMBL1467117
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
346Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417