SEQ2FUN

BioLiP

PDB CCD ID: 4FC
Number of entries in BioLiP: 2
Chemical formula: C13 H9 F O2
InChI: InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
InChIKey: LXWNTLBMNCXRQN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Fc2ccc(c1ccc(C(=O)O)cc1)cc2
CACTVS 3.341OC(=O)c1ccc(cc1)c2ccc(F)cc2
OpenEye OEToolkits 1.5.0c1cc(ccc1c2ccc(cc2)F)C(=O)O
Name:4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID
ChEMBL: CHEMBL106708
DrugBank: DB07108
ZINC: ZINC000002382451
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).