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

NameSR-02000000473
Molecular formulaC21H21ClN2O4
IUPAC name5-chloro-4-(3,5-dimethoxyphenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one
Molecular weight400.859
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.7
Synonyms5-chloro-4-(3,5-dimethoxyphenoxy)-2-p-cumenyl-pyridazin-3-one
5-chloro-4-(3,5-dimethoxyphenoxy)-2-(4-propan-2-ylphenyl)-3-pyridazinone
CHEMBL1701679
5-chloro-4-(3,5-dimethoxyphenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one
SR-02000000473-1
[ Show all ]
Inchi KeyDDYKWFUEVAUBMW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21ClN2O4/c1-13(2)14-5-7-15(8-6-14)24-21(25)20(19(22)12-23-24)28-18-10-16(26-3)9-17(11-18)27-4/h5-13H,1-4H3
PubChem CID46846319
ChEMBLCHEMBL1701679
IUPHARN/A
BindingDB75937
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
57581Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
57580Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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