SEQ2FUN

BioLiP

PDB CCD ID: NPB
Number of entries in BioLiP: 3
Chemical formula: C6 H6 B N O4
InChI: InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
InChIKey: ZNRGSYUVFVNSAW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04[O-][N+](=O)c1cc(B(O)O)ccc1
CACTVS 3.341OB(O)c1cccc(c1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0B(c1cccc(c1)[N+](=O)[O-])(O)O
Name:3-NITROPHENYLBORONIC ACID
ChEMBL: CHEMBL20945
DrugBank: DB02797
ZINC: ZINC000169743203
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).