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BioLiP

PDB CCD ID: 0NG
Number of entries in BioLiP: 4
Chemical formula: C2 H7 B Cl N O4 S
InChI: InChI=1S/C2H7BClNO4S/c4-2-10(8,9)5-1-3(6)7/h5-7H,1-2H2
InChIKey: DYDOICABPAYWAK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6B(CNS(=O)(=O)CCl)(O)O
ACDLabs 12.01ClCS(=O)(=O)NCB(O)O
CACTVS 3.370OB(O)CN[S](=O)(=O)CCl
Name:({[(chloromethyl)sulfonyl]amino}methyl)boronic acid
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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