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BioLiP

PDB CCD ID: 43H
Number of entries in BioLiP: 1
Chemical formula: C17 H14 B N O4
InChI: InChI=1S/C17H14BNO4/c20-16-11-19(10-15(17(16)21)18(22)23)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,20,22-23H
InChIKey: RJVMGRMKRJSOAH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O
CACTVS 3.385OB(O)C1=CN(C=C(O)C1=O)c2cccc(c2)c3ccccc3
ACDLabs 12.01O=C3C(=CN(c2cccc(c1ccccc1)c2)C=C3O)B(O)O
Name:[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
ChEMBL: CHEMBL3425744
ZINC: ZINC000199167708
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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