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BioLiP

PDB CCD ID: OYI
Number of entries in BioLiP: 1
Chemical formula: C11 H12 F N O2 S
InChI: InChI=1S/C11H12FNO2S/c1-13(4-5-16)11(15)8-2-3-9(7-14)10(12)6-8/h2-3,6-7,16H,4-5H2,1H3
InChIKey: IDNFWLDGQTXDHK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(CCS)C(=O)c1ccc(C=O)c(F)c1
OpenEye OEToolkits 3.1.0.0CN(CCS)C(=O)c1ccc(c(c1)F)C=O
Name:3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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