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

NameCHEMBL2207522
Molecular formulaC18H12ClF3N2O3
IUPAC name5-chloro-4-(4-methoxyphenoxy)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
Molecular weight396.75
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.5
SynonymsSR-02000001113-1
BDBM50401586
SR-02000001113
Inchi KeyCVBXDQFVFYFZFP-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H12ClF3N2O3/c1-26-13-6-8-14(9-7-13)27-16-15(19)10-23-24(17(16)25)12-4-2-11(3-5-12)18(20,21)22/h2-10H,1H3
PubChem CID50904422
ChEMBLCHEMBL2207522
IUPHARN/A
BindingDB50401586
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51354Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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