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BioLiP

PDB CCD ID: 0N4
Number of entries in BioLiP: 2
Chemical formula: C8 H10 B N5 O4 S
InChI: InChI=1S/C8H10BN5O4S/c15-9(16)5-10-19(17,18)7-3-1-6(2-4-7)8-11-13-14-12-8/h1-4,10,15-16H,5H2,(H,11,12,13,14)
InChIKey: SHNAIZGISNDQJQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)O
ACDLabs 12.01O=S(=O)(c2ccc(c1nnnn1)cc2)NCB(O)O
CACTVS 3.370OB(O)CN[S](=O)(=O)c1ccc(cc1)c2[nH]nnn2
Name:[({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
ChEMBL: CHEMBL3613795
ZINC: ZINC000205326965
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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