SEQ2FUN

BioLiP

PDB CCD ID: 7NM
Number of entries in BioLiP: 1
Chemical formula: C14 H15 B O2
InChI: InChI=1S/C14H15BO2/c1-11-7-8-13(15-16)9-14(11)17-10-12-5-3-2-4-6-12/h2-9,15-16H,10H2,1H3
InChIKey: AGVGVUFVBCPZKW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cc2c(OCc1ccccc1)cc(cc2)BO
OpenEye OEToolkits 2.0.6B(c1ccc(c(c1)OCc2ccccc2)C)O
CACTVS 3.385Cc1ccc(BO)cc1OCc2ccccc2
Name:[3-(benzyloxy)-4-methylphenyl]borinic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).