SEQ2FUN

BioLiP

PDB CCD ID: 3U4
Number of entries in BioLiP: 3
Chemical formula: C7 H5 F O2
InChI: InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKey: NSTREUWFTAOOKS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)O)F
ACDLabs 12.01Fc1ccccc1C(=O)O
CACTVS 3.385OC(=O)c1ccccc1F
Name:2-fluorobenzoic acid
ChEMBL: CHEMBL114383
ZINC: ZINC000000164451
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).