SEQ2FUN

BioLiP

PDB CCD ID: T9V
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
InChIKey: XVAIDCNLVLTVFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccc(cc1)OC
CACTVS 3.385COc1ccc(NC(C)=O)cc1
ACDLabs 12.01c1cc(ccc1OC)NC(=O)C
Name:N-(4-methoxyphenyl)acetamide
ChEMBL: CHEMBL3183230
ZINC: ZINC000000142828
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).