SEQ2FUN

BioLiP

PDB CCD ID: A1ED3
Number of entries in BioLiP: 2
Chemical formula: C9 H12 N2 O
InChI: InChI=1S/C9H12N2O/c1-6-3-4-8(10)5-9(6)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)
InChIKey: UAZGSMMESOKKQZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1cc(N)ccc1C
OpenEye OEToolkits 2.0.7Cc1ccc(cc1NC(=O)C)N
Name:N-(5-azanyl-2-methyl-phenyl)ethanamide;
2-Acetylamino-4-aminotoluene
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).