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BioLiP

PDB CCD ID: HKQ
Number of entries in BioLiP: 1
Chemical formula: C17 H13 Cl N2 O2 S
InChI: InChI=1S/C17H13ClN2O2S/c18-17-16(20-23(21,22)15-9-5-2-6-10-15)11-14(12-19-17)13-7-3-1-4-8-13/h1-12,20H
InChIKey: BKSZOJANUXVKCU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ncc(cc1N[S](=O)(=O)c2ccccc2)c3ccccc3
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2cc(c(nc2)Cl)NS(=O)(=O)c3ccccc3
Name:~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide
ChEMBL: CHEMBL4555426
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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