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

NameCHEMBL2391285
Molecular formulaC18H16BrN3O3
IUPAC nameN-(4-bromophenyl)-2-[5-(furan-3-ylmethyl)-3-methyl-6-oxopyridazin-1-yl]acetamide
Molecular weight402.248
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsBDBM50435907
SCHEMBL18015774
Inchi KeyYKRRGFVBYOIVQT-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16BrN3O3/c1-12-8-14(9-13-6-7-25-11-13)18(24)22(21-12)10-17(23)20-16-4-2-15(19)3-5-16/h2-8,11H,9-10H2,1H3,(H,20,23)
PubChem CID71698972
ChEMBLCHEMBL2391285
IUPHARN/A
BindingDB50435907
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
412524fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
412525N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351
412526N-formyl peptide receptor 3P25089FPR3Homo sapiens (Human)353

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