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BioLiP

PDB CCD ID: V8I
Number of entries in BioLiP: 3
Chemical formula: C7 H5 Cl2 N O4 S
InChI: InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKey: ZSHHRBYVHTVRFK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
OpenEye OEToolkits 2.0.7c1c(c(cc(c1S(=O)(=O)N)Cl)Cl)C(=O)O
Name:2,4-dichloro-5-sulfamoylbenzoic acid;
2,4-bis(chloranyl)-5-sulfamoyl-benzoic 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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