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BioLiP

PDB CCD ID: UKH
Number of entries in BioLiP: 10
Chemical formula: C6 H6 B N O4
InChI: InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H
InChIKey: NSFJAFZHYOAMHL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OB(O)c1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 2.0.7B(c1ccc(cc1)[N+](=O)[O-])(O)O
Name:p-nitrophenylboronic acid;
(4-nitrophenyl)boronic acid
ChEMBL: CHEMBL91108
ZINC: ZINC000169743514
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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