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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL1997793
Molecular formulaC24H22N2O5S
IUPAC name4-(4-ethoxyphenoxy)-5-methylsulfonyl-2-(naphthalen-1-ylmethyl)pyridazin-3-one
Molecular weight450.509
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.7
SynonymsSR-02000001222
SR-02000001222-1
Inchi KeyFHKKBMRSYQABSU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N2O5S/c1-3-30-19-11-13-20(14-12-19)31-23-22(32(2,28)29)15-25-26(24(23)27)16-18-9-6-8-17-7-4-5-10-21(17)18/h4-15H,3,16H2,1-2H3
PubChem CID53230266
ChEMBLCHEMBL1997793
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
78436Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
78435Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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