SEQ2FUN

BioLiP

PDB CCD ID: S1D
Number of entries in BioLiP: 3
Chemical formula: C13 H9 F O2
InChI: InChI=1S/C13H9FO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16)
InChIKey: YUQPLNXKGVRIAJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc(c1)c2ccc(F)cc2
OpenEye OEToolkits 2.0.6c1cc(cc(c1)C(=O)O)c2ccc(cc2)F
Name:3-(4-fluorophenyl)benzoic acid
ChEMBL: CHEMBL121838
ZINC: ZINC000002565543
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).