SEQ2FUN

BioLiP

PDB CCD ID: VZH
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c1-10-9(11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3,(H,10,11)
InChIKey: SIOAPROKUUGJAQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)c1ccc(OC)cc1
OpenEye OEToolkits 2.0.7CNC(=O)c1ccc(cc1)OC
ACDLabs 12.01COc1ccc(cc1)C(=O)NC
Name:4-methoxy-N-methylbenzamide
ChEMBL: CHEMBL3932992
ZINC: ZINC000000336924
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).