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BioLiP

PDB CCD ID: J5D
Number of entries in BioLiP: 1
Chemical formula: C10 H12 F N O
InChI: InChI=1S/C10H12FNO/c1-7-5-9(3-4-10(7)11)6-12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey: GEEDCVIVOYJQIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CC(=O)NCc1cc(c(cc1)F)C
CACTVS 3.385CC(=O)NCc1ccc(F)c(C)c1
OpenEye OEToolkits 2.0.6Cc1cc(ccc1F)CNC(=O)C
Name:N-[(4-fluoro-3-methylphenyl)methyl]acetamide
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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