SEQ2FUN

BioLiP

PDB CCD ID: 5UH
Number of entries in BioLiP: 1
Chemical formula: C15 H14 O3
InChI: InChI=1S/C15H14O3/c1-18-14-8-7-11(10-15(16)17)9-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChIKey: JHXCUSZPZNECKH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(CC(O)=O)cc1c2ccccc2
OpenEye OEToolkits 2.0.4COc1ccc(cc1c2ccccc2)CC(=O)O
Name:2-(4-methoxy-3-phenyl-phenyl)ethanoic acid
ChEMBL: CHEMBL3808980
ZINC: ZINC000034929344
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).