SEQ2FUN

BioLiP

PDB CCD ID: ZG0
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N O
InChI: InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKey: ALMHSXDYCFOZQD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1cccc(C)c1
OpenEye OEToolkits 2.0.7Cc1cccc(c1)NC(=O)C
ACDLabs 12.01O=C(C)Nc1cc(C)ccc1
Name:N-(3-methylphenyl)acetamide
ChEMBL: CHEMBL1528164
ZINC: ZINC000000153024
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).