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BioLiP

PDB CCD ID: ENN
Number of entries in BioLiP: 3
Chemical formula: C11 H14 Cl2 N2 O3 S
InChI: InChI=1S/C11H14Cl2N2O3S/c1-2-3-4-15-11(16)7-5-10(19(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKey: KRIUYRKSVUBELV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N
CACTVS 3.385CCCCNC(=O)c1cc(c(Cl)cc1Cl)[S](N)(=O)=O
Name:~{N}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide
ChEMBL: CHEMBL4160149
ZINC: ZINC000027489295
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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