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BioLiP

PDB CCD ID: 5Z8
Number of entries in BioLiP: 1
Chemical formula: C6 H2 Cl N3 O3
InChI: InChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
InChIKey: IGHBXJSNZCFXNK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc(c2c(c1[N+](=O)[O-])non2)Cl
CACTVS 3.385[O-][N+](=O)c1ccc(Cl)c2nonc12
Name:4-chloro-7-nitrobenzofurazan;
4-chloranyl-7-nitro-2,1,3-benzoxadiazole;
NBD-Cl;
4-nitro-2,1,3-benzoxadiazole (post-reaction)
ChEMBL: CHEMBL1743207
ZINC: ZINC000001311094
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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