SEQ2FUN

BioLiP

PDB CCD ID: GQV
Number of entries in BioLiP: 1
Chemical formula: C6 H7 N O2
InChI: InChI=1S/C6H7NO2/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3
InChIKey: QUKDWRYJPHUXQR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C=CC=C(O)C1=O
OpenEye OEToolkits 2.0.6CN1C=CC=C(C1=O)O
Name:1-methyl-3-oxidanyl-pyridin-2-one
ChEMBL: CHEMBL52209
ZINC: ZINC000005783629
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).