SEQ2FUN

BioLiP

PDB CCD ID: 26C
Number of entries in BioLiP: 2
Chemical formula: C13 H8 F2 O2
InChI: InChI=1S/C13H8F2O2/c14-10-2-1-3-11(15)12(10)8-4-6-9(7-5-8)13(16)17/h1-7H,(H,16,17)
InChIKey: CWWIIKLXUPZDOG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1ccc(cc1)c2c(F)cccc2F
ACDLabs 10.04Fc2cccc(F)c2c1ccc(C(=O)O)cc1
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F
Name:2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID
ChEMBL: CHEMBL122055
DrugBank: DB06935
ZINC: ZINC000016052010
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).