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BioLiP

PDB CCD ID: 6M9
Number of entries in BioLiP: 2
Chemical formula: C7 H7 B O2
InChI: InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2
InChIKey: XOQABDOICLHPIS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c21B(OCc1cccc2)O
CACTVS 3.385OB1OCc2ccccc12
OpenEye OEToolkits 2.0.4B1(c2ccccc2CO1)O
Name:2,1-benzoxaborol-1(3H)-ol
ChEMBL: CHEMBL378506
ZINC: ZINC000169747151
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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