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BioLiP

PDB CCD ID: HOG
Number of entries in BioLiP: 1
Chemical formula: C13 H9 N O6
InChI: InChI=1S/C13H9NO6/c15-9-5-8(14-10(11(9)16)13(19)20)6-2-1-3-7(4-6)12(17)18/h1-5,16H,(H,14,15)(H,17,18)(H,19,20)
InChIKey: CHARUKBQSGEOIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)O)O
CACTVS 3.385OC(=O)c1cccc(c1)C2=CC(=O)C(=C(N2)C(O)=O)O
ACDLabs 12.01OC(c1cccc(c1)C=2NC(C(O)=O)=C(O)C(C=2)=O)=O
Name:6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
ChEMBL: CHEMBL4440338
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)(download the PDF file).
  • 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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