SEQ2FUN

BioLiP

PDB CCD ID: FBC
Number of entries in BioLiP: 2
Chemical formula: C13 H8 F2 O2
InChI: InChI=1S/C13H8F2O2/c14-11-5-10(6-12(15)7-11)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
InChIKey: VCEFNMHMLWBFNV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O
CACTVS 3.341OC(=O)c1ccc(cc1)c2cc(F)cc(F)c2
ACDLabs 10.04Fc2cc(c1ccc(C(=O)O)cc1)cc(F)c2
Name:3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID
ChEMBL: CHEMBL432234
DrugBank: DB07753
ZINC: ZINC000002513032
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).