SEQ2FUN

BioLiP

PDB CCD ID: 8ZX
Number of entries in BioLiP: 8
Chemical formula: C8 H9 N O2
InChI: InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey: GUCPYIYFQVTFSI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccc(cc1)C(=O)N
CACTVS 3.385COc1ccc(cc1)C(N)=O
Name:4-methoxybenzamide
ChEMBL: CHEMBL449635
ZINC: ZINC000000161203
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).