SEQ2FUN

BioLiP

PDB CCD ID: WL3
Number of entries in BioLiP: 2
Chemical formula: C14 H9 F O3
InChI: InChI=1S/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
InChIKey: FJAZVXUPZQSZKI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)O
CACTVS 3.385OC(=O)c1ccccc1C(=O)c2ccc(F)cc2
Name:2-(4-fluorophenyl)carbonylbenzoic acid
ChEMBL: CHEMBL82115
ZINC: ZINC000000056439
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).