SEQ2FUN

BioLiP

PDB CCD ID: LNS
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 O3
InChI: InChI=1S/C8H8N2O3/c1-9-7(11)5-3-2-4-6(10-5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13)
InChIKey: NPBRDFPBRHOBAK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)c1cccc(n1)C(O)=O
OpenEye OEToolkits 2.0.7CNC(=O)c1cccc(n1)C(=O)O
ACDLabs 12.01OC(=O)c1cccc(n1)C(=O)NC
Name:6-(methylcarbamoyl)pyridine-2-carboxylic acid
ZINC: ZINC000036756677
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).