SEQ2FUN

BioLiP

PDB CCD ID: E9I
Number of entries in BioLiP: 4
Chemical formula: C10 H13 N O3
InChI: InChI=1S/C10H13NO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H2,11,12)
InChIKey: CUWOZWFDSYIYHL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1OC)CC(=O)N
CACTVS 3.385COc1ccc(CC(N)=O)cc1OC
Name:2-(3,4-dimethoxyphenyl)ethanamide
ChEMBL: CHEMBL1979926
ZINC: ZINC000000300830
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).