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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

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Ligand

NameCHEMBL514267
Molecular formulaC23H23ClFN5O2
IUPAC nameN-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-2-fluorobenzamide
Molecular weight455.918
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50412991
Inchi KeyOUKGWHNUYSNLLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23ClFN5O2/c1-15-16(5-4-8-19(15)28-22(31)17-6-2-3-7-18(17)25)14-30-23(32)21(24)20(13-27-30)29-11-9-26-10-12-29/h2-8,13,26H,9-12,14H2,1H3,(H,28,31)
PubChem CID25209191
ChEMBLCHEMBL514267
IUPHARN/A
BindingDB50412991
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
250610Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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