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BioLiP

PDB CCD ID: 25N
Number of entries in BioLiP: 2
Chemical formula: C14 H23 B O2
InChI: InChI=1S/C14H23BO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9,16-17H,1-6H3
InChIKey: RPCBIEHUQSGPNA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)(C)c1cc(cc(c1)C(C)(C)C)B(O)O
ACDLabs 12.01OB(O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
OpenEye OEToolkits 1.7.6B(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(O)O
Name:(3,5-di-tert-butylphenyl)boronic acid
ZINC: ZINC000169746404
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)(download the PDF file).
  • 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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