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BioLiP

PDB CCD ID: 7N7
Number of entries in BioLiP: 1
Chemical formula: C10 H9 B O2
InChI: InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H
InChIKey: KPTRDYONBVUWPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6B(c1ccc2ccccc2c1)(O)O
ACDLabs 12.01c1c2c(cc(B(O)O)c1)cccc2
CACTVS 3.385OB(O)c1ccc2ccccc2c1
Name:naphthalen-2-ylboronic acid
ChEMBL: CHEMBL141079
ZINC: ZINC000169743269
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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