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BioLiP

PDB CCD ID: HNA
Number of entries in BioLiP: 1
Chemical formula: C14 H7 N O6
InChI: InChI=1S/C14H7NO6/c16-8-3-1-2-6-10(8)14(19)12-9(17)5-4-7(15(20)21)11(12)13(6)18/h1-5,16-17H
InChIKey: RIYCICFDXLNQPV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04[O-][N+](=O)c3ccc(O)c2C(=O)c1c(cccc1O)C(=O)c23
CACTVS 3.341Oc1cccc2C(=O)c3c(ccc(O)c3C(=O)c12)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc2c(c(c1)O)C(=O)c3c(ccc(c3C2=O)[N+](=O)[O-])O
Name:1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE
ChEMBL: CHEMBL574060
DrugBank: DB03035
ZINC: ZINC000035283738
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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