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

NameCHEMBL2391450
Molecular formulaC21H19BrN4O4
IUPAC nameN-[2-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-3-oxopyridazin-4-yl]-3-methoxybenzamide
Molecular weight471.311
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50435893
Inchi KeyZXZVORLKOGCNCE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19BrN4O4/c1-13-10-18(24-20(28)14-4-3-5-17(11-14)30-2)21(29)26(25-13)12-19(27)23-16-8-6-15(22)7-9-16/h3-11H,12H2,1-2H3,(H,23,27)(H,24,28)
PubChem CID71699143
ChEMBLCHEMBL2391450
IUPHARN/A
BindingDB50435893
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
440293fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
440291N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351
440292N-formyl peptide receptor 3P25089FPR3Homo sapiens (Human)353

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