SEQ2FUN

BioLiP

PDB CCD ID: VKF
Number of entries in BioLiP: 1
Chemical formula: C8 H6 F2 O2
InChI: InChI=1S/C8H6F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7H,(H,11,12)
InChIKey: AVYXJQFZBUXNHB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(F)F)C(=O)O
ACDLabs 12.01FC(F)c1ccc(cc1)C(=O)O
CACTVS 3.385OC(=O)c1ccc(cc1)C(F)F
Name:4-(difluoromethyl)benzoic acid
ZINC: ZINC000008698360
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).