SEQ2FUN

BioLiP

PDB CCD ID: U4J
Number of entries in BioLiP: 4
Chemical formula: C14 H12 O3
InChI: InChI=1S/C14H12O3/c1-17-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey: VWDMBLJBLIUXFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccc(cc1)c2cccc(c2)C(=O)O
CACTVS 3.385COc1ccc(cc1)c2cccc(c2)C(O)=O
Name:3-(4-methoxyphenyl)benzoic acid
ChEMBL: CHEMBL4073646
ZINC: ZINC000001132980
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).