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BioLiP

PDB CCD ID: R3K
Number of entries in BioLiP: 3
Chemical formula: C7 H5 N O4
InChI: InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)
InChIKey: LVPMIMZXDYBCDF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(nc1)C(O)=O
ACDLabs 12.01OC(=O)c1ccc(cn1)C(=O)O
OpenEye OEToolkits 2.0.7c1cc(ncc1C(=O)O)C(=O)O
Name:pyridine-2,5-dicarboxylic acid
ChEMBL: CHEMBL88972
ZINC: ZINC000000005284
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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