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BioLiP

PDB CCD ID: NZG
Number of entries in BioLiP: 2
Chemical formula: C9 H8 F N O3
InChI: InChI=1S/C9H8FNO3/c1-5(12)11-8-4-6(9(13)14)2-3-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKey: VOLGFCKUDWAJQS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)Nc1cc(ccc1F)C(=O)O
ACDLabs 12.01N(C(C)=O)c1cc(C(O)=O)ccc1F
CACTVS 3.385CC(=O)Nc1cc(ccc1F)C(O)=O
Name:3-(acetylamino)-4-fluorobenzoic acid
ZINC: ZINC000037500399
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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