SEQ2FUN

BioLiP

PDB CCD ID: VW3
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N O3
InChI: InChI=1S/C9H11NO3/c11-9(10-12)6-7-13-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
InChIKey: PTLMVTWTWJSJBJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)OCCC(=O)NO
ACDLabs 12.01
CACTVS 3.385		ONC(=O)CCOc1ccccc1
Name:N-hydroxy-3-phenoxypropanamide
ChEMBL: CHEMBL569423
ZINC: ZINC000019516393
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).