SEQ2FUN

BioLiP

PDB CCD ID: FP5
Number of entries in BioLiP: 6
Chemical formula: C9 H12 B N O3
InChI: InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12)
InChIKey: WPZJZIUTEZTIJI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1B(CNC(=O)Cc1ccccc1)(O)O
CACTVS 3.352OB(O)CNC(=O)Cc1ccccc1
Name:PHENYLACETAMIDOMETHYL BORONIC ACID
ChEMBL: CHEMBL1275918
ZINC: ZINC000169879812
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).