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BioLiP

PDB CCD ID: UK2
Number of entries in BioLiP: 13
Chemical formula: C7 H8 B N O4
InChI: InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3
InChIKey: OASVXBRTNVFKFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O
CACTVS 3.385Cc1ccc(cc1[N+]([O-])=O)B(O)O
Name:(4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron
ZINC: ZINC000169746924
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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