SEQ2FUN

BioLiP

PDB CCD ID: A1EC9
Number of entries in BioLiP: 3
Chemical formula: C10 H13 N O
InChI: InChI=1S/C10H13NO/c1-3-11-10(12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey: QLPRAXXGCFGXLJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCNC(=O)c1ccc(cc1)C
CACTVS 3.385CCNC(=O)c1ccc(C)cc1
Name:~{N}-ethyl-4-methyl-benzamide
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).