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

NameCHEMBL2391254
Molecular formulaC20H18BrN3O3
IUPAC nameN-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
Molecular weight428.286
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50435938
Inchi KeyKQXIVNGFJGYBKE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18BrN3O3/c1-27-18-4-2-3-14(12-18)11-15-9-10-22-24(20(15)26)13-19(25)23-17-7-5-16(21)6-8-17/h2-10,12H,11,13H2,1H3,(H,23,25)
PubChem CID71698527
ChEMBLCHEMBL2391254
IUPHARN/A
BindingDB50435938
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
176000fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
175998N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351
175999N-formyl peptide receptor 3P25089FPR3Homo sapiens (Human)353

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