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Ligand

NameCHEMBL3342302
Molecular formulaC20H16F2N2OS
IUPAC name6-[(2-fluoro-3-methylphenyl)methylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
Molecular weight370.418
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM150839
US8981106, 28
Inchi KeyBYWFWWXPFQIRHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H16F2N2OS/c1-13-3-2-4-15(19(13)22)12-26-18-10-5-14(11-23-18)20(25)24-17-8-6-16(21)7-9-17/h2-11H,12H2,1H3,(H,24,25)
PubChem CID46897453
ChEMBLCHEMBL3342302
IUPHARN/A
BindingDB150839
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
443130C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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