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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

NameCHEMBL3658285
Molecular formulaC20H14FN3O4S
IUPAC nameN-(4-fluorophenyl)-6-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
Molecular weight411.407
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM150912
US8981106, 101
Inchi KeyBFMJGQGXQTYTGE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H14FN3O4S/c21-15-4-6-16(7-5-15)23-20(26)14-3-10-19(22-11-14)29-12-18(25)13-1-8-17(9-2-13)24(27)28/h1-11H,12H2,(H,23,26)
PubChem CID91937278
ChEMBLCHEMBL3658285
IUPHARN/A
BindingDB150912
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
459408C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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