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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

NameCHEMBL2005648
Molecular formulaC22H16ClFN2O3
IUPAC name5-chloro-4-(3-fluoro-4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one
Molecular weight410.829
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50425584
SR-02000001267
SR-02000001267-1
Inchi KeyARNKJISQFPDKSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H16ClFN2O3/c1-28-20-10-9-16(11-19(20)24)29-21-18(23)12-25-26(22(21)27)13-15-7-4-6-14-5-2-3-8-17(14)15/h2-12H,13H2,1H3
PubChem CID53234157
ChEMBLCHEMBL2005648
IUPHARN/A
BindingDB50425584
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
12602Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
12603Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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