SEQ2FUN

BioLiP

PDB CCD ID: 9KS
Number of entries in BioLiP: 8
Chemical formula: C8 H9 N O2
InChI: InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
InChIKey: ADVGKWPZRIDURE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C(C)=O)c1ccccc1O
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(=O)Nc1ccccc1O
Name:N-(2-hydroxyphenyl)acetamide
ChEMBL: CHEMBL1456301
ZINC: ZINC000000404269
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).