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BioLiP

PDB CCD ID: E7Z
Number of entries in BioLiP: 1
Chemical formula: C7 H7 N O4
InChI: InChI=1S/C7H7NO4/c1-8-3-6(10)5(9)2-4(8)7(11)12/h2-3,10H,1H3,(H,11,12)
InChIKey: XWHROGRDGWNCHV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C=C(O)C(=O)C=C1C(O)=O
OpenEye OEToolkits 2.0.6CN1C=C(C(=O)C=C1C(=O)O)O
Name:1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid
ChEMBL: CHEMBL177366
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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