SEQ2FUN

BioLiP

PDB CCD ID: A1ANB
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N O2
InChI: InChI=1S/C11H15NO2/c1-7-4-8(2)11(9(3)5-7)12-10(14)6-13/h4-5,13H,6H2,1-3H3,(H,12,14)
InChIKey: XXCOYYOVKYXTIE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(c(c(c1)C)NC(=O)CO)C
CACTVS 3.385Cc1cc(C)c(NC(=O)CO)c(C)c1
ACDLabs 12.01O=C(Nc1c(C)cc(C)cc1C)CO
Name:2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide
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).