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BioLiP Library

PDB CCD ID: NQ
Number of entries in BioLiP: 2
Chemical formula: C10 H6 O3
InChI: InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
InChIKey: CSFWPUWCSPOLJW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC1=CC(=O)c2ccccc2C1=O
ACDLabs 10.04O=C2c1c(cccc1)C(=O)C(O)=C2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=O)C=C(C2=O)O
Name:2-HYDROXYNAPHTHOQUINONE;
2-HYDROXY-1,4-NAPHTHOQUINONE
ChEMBL: CHEMBL240963
DrugBank: DB04744
ZINC: ZINC000004632115
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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