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BioLiP

PDB CCD ID: B07
Number of entries in BioLiP: 4
Chemical formula: C10 H14 B N O5
InChI: InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13)
InChIKey: SXURQNHWSSEFLG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1c(OC)cccc1OC)NCB(O)O
CACTVS 3.385COc1cccc(OC)c1C(=O)NCB(O)O
OpenEye OEToolkits 1.9.2B(CNC(=O)c1c(cccc1OC)OC)(O)O
Name:2,6 DIMETHOXYBENZAMIDOBORONIC ACID
ChEMBL: CHEMBL2035284
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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