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BioLiP

PDB CCD ID: ZA5
Number of entries in BioLiP: 1
Chemical formula: C8 H9 B F2 N O4
InChI: InChI=1S/C8H9BF2NO4/c10-5-2-1-3-6(11)7(5)8(13)12-4-9(14,15)16/h1-3,14-16H,4H2,(H,12,13)/q-1
InChIKey: WTOJBPXTZMRWEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1[B-](CNC(=O)c1c(cccc1F)F)(O)(O)O
CACTVS 3.352O[B-](O)(O)CNC(=O)c1c(F)cccc1F
Name:[(2,6-DIFLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
ZINC: ZINC000199226777
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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