SEQ2FUN

BioLiP

PDB CCD ID: ES6
Number of entries in BioLiP: 2
Chemical formula: C6 H5 N O3
InChI: InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)
InChIKey: UEYQJQVBUVAELZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OC(=O)C1=CC=CNC1=O
OpenEye OEToolkits 1.7.0C1=CNC(=O)C(=C1)C(=O)O
Name:2-oxo-1,2-dihydropyridine-3-carboxylic acid
ChEMBL: CHEMBL53297
ZINC: ZINC000008698121
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).