SEQ2FUN

BioLiP

PDB CCD ID: ZA4
Number of entries in BioLiP: 1
Chemical formula: C8 H10 B F N O4
InChI: InChI=1S/C8H10BFNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1
InChIKey: GSERMWXQEOLTTB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1[B-](CNC(=O)c1ccccc1F)(O)(O)O
CACTVS 3.352O[B-](O)(O)CNC(=O)c1ccccc1F
Name:[(2-FLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
ZINC: ZINC000199226759
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).