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BioLiP

PDB CCD ID: ZA3
Number of entries in BioLiP: 5
Chemical formula: C8 H10 B N2 O6
InChI: InChI=1S/C8H10BN2O6/c12-8(10-5-9(13,14)15)6-3-1-2-4-7(6)11(16)17/h1-4,13-15H,5H2,(H,10,12)/q-1
InChIKey: YKMUZZUWSQWVEH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O
OpenEye OEToolkits 1.6.1[B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O
Name:TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON
ZINC: ZINC000199226740
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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