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BioLiP Library

PDB CCD ID: 8BC
Number of entries in BioLiP: 1
Chemical formula: C9 H8 F N O3
InChI: InChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKey: IWTHKNXLQDASPO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)Nc1cccc(c1C(=O)O)F
CACTVS 3.385CC(=O)Nc1cccc(F)c1C(O)=O
ACDLabs 12.01O=C(C)Nc1cccc(F)c1C(=O)O
Name:2-acetamido-6-fluorobenzoic acid
ZINC: ZINC000000166840
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)(download the PDF file).
  • 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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