SEQ2FUN

BioLiP

PDB CCD ID: DF0
Number of entries in BioLiP: 4
Chemical formula: C14 H11 F O2
InChI: InChI=1S/C14H11FO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17)
InChIKey: ZLLZRKQQNGBXRD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)Cc1ccc(c(F)c1)c2ccccc2
ACDLabs 12.01Fc2cc(ccc2c1ccccc1)CC(=O)O
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2ccc(cc2F)CC(=O)O
Name:(2-fluorobiphenyl-4-yl)acetic acid;
Des-methylflurbiprofen
ChEMBL: CHEMBL2152245
ZINC: ZINC000022059388
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).