SEQ2FUN

BioLiP

PDB CCD ID: A1AX0
Number of entries in BioLiP: 2
Chemical formula: C8 H8 F N O
InChI: InChI=1S/C8H8FNO/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKey: VPAFHFHYJHZKSR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		Cc1ccc(F)cc1C(N)=O
OpenEye OEToolkits 2.0.7Cc1ccc(cc1C(=O)N)F
Name:5-fluoro-2-methylbenzamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).