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BioLiP

PDB CCD ID: OA7
Number of entries in BioLiP: 10
Chemical formula: C6 H5 N O3
InChI: InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
InChIKey: BLHCMGRVFXRYRN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cc(O)ncc1C(O)=O
OpenEye OEToolkits 2.0.7c1cc(ncc1C(=O)O)O
CACTVS 3.385OC(=O)c1ccc(O)nc1
Name:6-hydroxypyridine-3-carboxylic acid;
6-hydroxynicotinic acid
ChEMBL: CHEMBL95293
ZINC: ZINC000008576188
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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