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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL1973528
Molecular formulaC25H20ClN3O2
IUPAC name2-[5-chloro-2-(naphthalen-1-ylmethyl)-3-oxopyridazin-4-yl]-2-(4-ethoxyphenyl)acetonitrile
Molecular weight429.904
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.7
SynonymsSR-02000001283
SR-02000001283-1
Inchi KeyAIMPCQFBZKQXCV-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H20ClN3O2/c1-2-31-20-12-10-18(11-13-20)22(14-27)24-23(26)15-28-29(25(24)30)16-19-8-5-7-17-6-3-4-9-21(17)19/h3-13,15,22H,2,16H2,1H3
PubChem CID53239834
ChEMBLCHEMBL1973528
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
6352Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
6353Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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