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BioLiP

PDB CCD ID: 2BI
Number of entries in BioLiP: 2
Chemical formula: C10 H7 Cl3 N2 O3 S
InChI: InChI=1S/C10H7Cl3N2O3S/c1-5-2-10(14-18-5)15-19(16,17)9-4-7(12)6(11)3-8(9)13/h2-4H,1H3,(H,14,15)
InChIKey: HFFXLYHRNRKAPM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl
CACTVS 3.370Cc1onc(N[S](=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
ACDLabs 12.01O=S(=O)(Nc1noc(c1)C)c2cc(Cl)c(Cl)cc2Cl
Name:2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
ChEMBL: CHEMBL2376565
ZINC: ZINC000002380858
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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