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 ●DMFold ●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

NameCHEMBL2391276
Molecular formulaC27H24BrN3O3
IUPAC name2-[3-benzyl-5-[(4-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-bromophenyl)acetamide
Molecular weight518.411
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50435916
Inchi KeyDFGQHQWDBGAVQM-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H24BrN3O3/c1-34-25-13-7-20(8-14-25)15-21-17-24(16-19-5-3-2-4-6-19)30-31(27(21)33)18-26(32)29-23-11-9-22(28)10-12-23/h2-14,17H,15-16,18H2,1H3,(H,29,32)
PubChem CID71698878
ChEMBLCHEMBL2391276
IUPHARN/A
BindingDB50435916
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
58537fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
58539N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351
58538N-formyl peptide receptor 3P25089FPR3Homo sapiens (Human)353

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