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BioLiP

PDB CCD ID: NLM
Number of entries in BioLiP: 1
Chemical formula: C11 H9 Cl N2 O5 S2
InChI: InChI=1S/C11H9ClN2O5S2/c12-10-2-1-7-13-11(10)14-20(15,16)8-3-5-9(6-4-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)
InChIKey: HCEVZVCXFTUKMF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2ncccc2Cl
OpenEye OEToolkits 2.0.7c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O)Cl
ACDLabs 12.01N(S(c1ccc(cc1)S(=O)(=O)O)(=O)=O)c2ncccc2Cl
Name:4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic 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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