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BioLiP Library

PDB CCD ID: 3F0
Number of entries in BioLiP: 2
Chemical formula: C7 H6 F N O2
InChI: InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey: KUHAYJJXXGBYBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc1cccc(C(=O)O)c1N
OpenEye OEToolkits 1.9.2c1cc(c(c(c1)F)N)C(=O)O
CACTVS 3.385Nc1c(F)cccc1C(O)=O
Name:2-azanyl-3-fluoranyl-benzoic acid;
3-fluoroanthranilate
ZINC: ZINC000002574870
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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