SEQ2FUN

BioLiP

PDB CCD ID: QU8
Number of entries in BioLiP: 0
Chemical formula: C8 H9 N O2
InChI: InChI=1S/C8H9NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-6H,1H3,(H,9,10)
InChIKey: SXEVZVMJNXOXIJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)NC=O
CACTVS 3.385COc1ccc(NC=O)cc1
Name:~{N}-(4-methoxyphenyl)methanamide
ChEMBL: CHEMBL3252138
ZINC: ZINC000005916765
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).