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BioLiP

PDB CCD ID: JTA
Number of entries in BioLiP: 2
Chemical formula: C10 H6 N2 O5
InChI: InChI=1S/C10H6N2O5/c13-9-5-2-1-3-7(12(16)17)8(5)11-4-6(9)10(14)15/h1-4H,(H,11,13)(H,14,15)
InChIKey: BMIZBCVEHSUUNO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2cc(c1c(c(c(C(O)=O)cn1)O)c2)[N+](=O)[O-]
CACTVS 3.385OC(=O)c1cnc2c(cccc2[N+]([O-])=O)c1O
OpenEye OEToolkits 2.0.6c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O
Name:4-hydroxy-8-nitroquinoline-3-carboxylic acid
ChEMBL: CHEMBL176599
ZINC: ZINC000005545970
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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