SEQ2FUN

BioLiP

PDB CCD ID: A01
Number of entries in BioLiP: 2
Chemical formula: C10 H15 B N O6
InChI: InChI=1S/C10H15BNO6/c1-17-7-4-3-5-8(18-2)9(7)10(13)12-6-11(14,15)16/h3-5,14-16H,6H2,1-2H3,(H,12,13)/q-1
InChIKey: DRHCTIJAENVGEN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1[B-](CNC(=O)c1c(cccc1OC)OC)(O)(O)O
CACTVS 3.352COc1cccc(OC)c1C(=O)NC[B-](O)(O)O
Name:[(2,6-DIMETHOXYPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
ZINC: ZINC000199226705
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).