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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

NameCHEMBL3342301
Molecular formulaC23H18FN3OS
IUPAC nameN-(4-fluorophenyl)-6-[(3-pyrrol-1-ylphenyl)methylsulfanyl]pyridine-3-carboxamide
Molecular weight403.475
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM150849
US8981106, 38
Inchi KeyASQFYNBHCZKSAZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H18FN3OS/c24-19-7-9-20(10-8-19)26-23(28)18-6-11-22(25-15-18)29-16-17-4-3-5-21(14-17)27-12-1-2-13-27/h1-15H,16H2,(H,26,28)
PubChem CID46897631
ChEMBLCHEMBL3342301
IUPHARN/A
BindingDB150849
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
442184C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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