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BioLiP

PDB CCD ID: O0F
Number of entries in BioLiP: 3
Chemical formula: C7 H9 N7 O4 S2
InChI: InChI=1S/C7H9N7O4S2/c8-4-1-3(7-11-13-14-12-7)5(19(9,15)16)2-6(4)20(10,17)18/h1-2H,8H2,(H2,9,15,16)(H2,10,17,18)(H,11,12,13,14)
InChIKey: HZKIZEMGGDWFAS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)c2n[nH]nn2
ACDLabs 12.01NS(=O)(=O)c1cc(c(cc1N)c1n[NH]nn1)S(N)(=O)=O
CACTVS 3.385Nc1cc(c(cc1[S](N)(=O)=O)[S](N)(=O)=O)c2n[nH]nn2
Name:(6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide
ChEMBL: CHEMBL5279817
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)(download the PDF file).
  • 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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