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

NameCHEMBL2391447
Molecular formulaC22H21BrN4O4
IUPAC name2-[4-acetyl-5-(4-methoxyanilino)-3-methyl-6-oxopyridazin-1-yl]-N-(4-bromophenyl)acetamide
Molecular weight485.338
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50435896
Inchi KeyVRBJPKODQPKKFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21BrN4O4/c1-13-20(14(2)28)21(25-17-8-10-18(31-3)11-9-17)22(30)27(26-13)12-19(29)24-16-6-4-15(23)5-7-16/h4-11,25H,12H2,1-3H3,(H,24,29)
PubChem CID71698365
ChEMBLCHEMBL2391447
IUPHARN/A
BindingDB50435896
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
362149fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
362150N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351
362151N-formyl peptide receptor 3P25089FPR3Homo sapiens (Human)353

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