SEQ2FUN

BioLiP

PDB CCD ID: BH6
Number of entries in BioLiP: 4
Chemical formula: C8 H9 B Cl N O3
InChI: InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)
InChIKey: LXIUYRUEMMFAQV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1B(CNC(=O)c1ccccc1Cl)(O)O
CACTVS 3.352OB(O)CNC(=O)c1ccccc1Cl
ACDLabs 12.01O=C(c1ccccc1Cl)NCB(O)O
Name:{[(2-chlorobenzoyl)amino]methyl}boronic acid
ChEMBL: CHEMBL2035289
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).