SEQ2FUN

BioLiP

PDB CCD ID: L3V
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-5,11H,6H2,1H3,(H,10,12)
InChIKey: XEYORFKUJZEQCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		CC(=O)Nc1ccc(CO)cc1
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccc(cc1)CO
Name:N-[4-(hydroxymethyl)phenyl]acetamide
ChEMBL: CHEMBL4476751
ZINC: ZINC000002566078
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).