SEQ2FUN

BioLiP

PDB CCD ID: IO2
Number of entries in BioLiP: 1
Chemical formula: C15 H14 O3
InChI: InChI=1S/C15H14O3/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)
InChIKey: XJHGAJLIKDAOPE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)Cc1ccc(OCc2ccccc2)cc1
OpenEye OEToolkits 1.7.6c1ccc(cc1)COc2ccc(cc2)CC(=O)O
Name:2-(4-phenylmethoxyphenyl)ethanoic acid
ZINC: ZINC000000081145
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).