SEQ2FUN

BioLiP

PDB CCD ID: SXK
Number of entries in BioLiP: 1
Chemical formula: C14 H10 F2 O3
InChI: InChI=1S/C14H10F2O3/c15-10-3-6-12(13(16)7-10)9-1-4-11(5-2-9)19-8-14(17)18/h1-7H,8H2,(H,17,18)
InChIKey: OIXUCWSQNBIMBL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1c2ccc(cc2F)F)OCC(=O)O
CACTVS 3.370OC(=O)COc1ccc(cc1)c2ccc(F)cc2F
ACDLabs 12.01Fc2ccc(c1ccc(OCC(=O)O)cc1)c(F)c2
Name:[(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid
ZINC: ZINC000041663005
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).