SEQ2FUN

BioLiP

PDB CCD ID: 60M
Number of entries in BioLiP: 3
Chemical formula: C7 H8 N O5 P
InChI: InChI=1S/C7H8NO5P/c9-7(10)6-3-1-2-5(8-6)4-14(11,12)13/h1-3H,4H2,(H,9,10)(H2,11,12,13)
InChIKey: HIDJRVUSOKZHOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(nc(c1)C(=O)O)CP(=O)(O)O
CACTVS 3.385OC(=O)c1cccc(C[P](O)(O)=O)n1
Name:6-(phosphonomethyl)pyridine-2-carboxylic acid
ChEMBL: CHEMBL5284352
ZINC: ZINC000034963090
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).