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BioLiP

PDB CCD ID: NFZ
Number of entries in BioLiP: 11
Chemical formula: C6 H6 N4 O4
InChI: InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+
InChIKey: IAIWVQXQOWNYOU-FPYGCLRLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=O)N\N=C\c1oc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(oc1C=NNC(=O)N)[N+](=O)[O-]
OpenEye OEToolkits 1.5.0c1cc(oc1\C=N\NC(=O)N)[N+](=O)[O-]
CACTVS 3.341NC(=O)NN=Cc1oc(cc1)[N+]([O-])=O
ACDLabs 10.04O=[N+]([O-])c1oc(/C=N/NC(=O)N)cc1
Name:NITROFURAZONE;
5-NITRO-2-FURALDEHYDE SEMICARBAZONE
ChEMBL: CHEMBL869
DrugBank: DB00336
ZINC: ZINC000000897369
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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