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BioLiP

PDB CCD ID: DNF
Number of entries in BioLiP: 17
Chemical formula: C6 H4 N2 O5
InChI: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
InChIKey: UFBJCMHMOXMLKC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O
ACDLabs 10.04O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O
Name:2,4-DINITROPHENOL
ChEMBL: CHEMBL273386
DrugBank: DB04528
ZINC: ZINC000012358776
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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