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

NameCHEMBL2391443
Molecular formulaC20H17ClIN3O2
IUPAC name2-[5-[(3-chlorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]-N-(4-iodophenyl)acetamide
Molecular weight493.729
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50435900
SCHEMBL18015879
Inchi KeyPSLAZNCKJKOLBS-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17ClIN3O2/c1-13-9-15(10-14-3-2-4-16(21)11-14)20(27)25(24-13)12-19(26)23-18-7-5-17(22)6-8-18/h2-9,11H,10,12H2,1H3,(H,23,26)
PubChem CID71699139
ChEMBLCHEMBL2391443
IUPHARN/A
BindingDB50435900
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
267694fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
267696N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351
267695N-formyl peptide receptor 3P25089FPR3Homo sapiens (Human)353

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