SEQ2FUN

BioLiP

PDB CCD ID: S3V
Number of entries in BioLiP: 4
Chemical formula: C6 H5 N O2
InChI: InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
InChIKey: TWBYWOBDOCUKOW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cnccc1C(=O)O
CACTVS 3.385OC(=O)c1ccncc1
Name:pyridine-4-carboxylic acid
ChEMBL: CHEMBL1203
DrugBank: DB16884
ZINC: ZINC000000158593
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).