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BioLiP

PDB CCD ID: Z06
Number of entries in BioLiP: 2
Chemical formula: C9 H11 B N O6
InChI: InChI=1S/C9H11BNO6/c1-5(12)11-8-3-6(9(13)14)2-7(4-8)10(15,16)17/h2-4,15-17H,1H3,(H,11,12)(H,13,14)/q-1
InChIKey: ZONDIXDEBAKRPT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CC(=O)Nc1cc(cc(c1)[B-](O)(O)O)C(O)=O
OpenEye OEToolkits 1.6.1[B-](c1cc(cc(c1)NC(=O)C)C(=O)O)(O)(O)O
Name:(3-acetamido-5-carboxy-phenyl)-trihydroxy-boron
ZINC: ZINC000199226870
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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