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BioLiP

PDB CCD ID: 4J8
Number of entries in BioLiP: 6
Chemical formula: C7 H9 N O2 S
InChI: InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey: LMYRWZFENFIFIT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385Cc1ccc(cc1)[S](N)(=O)=O
ACDLabs 12.01c1(ccc(S(=O)(=O)N)cc1)C
Name:4-methylbenzenesulfonamide
ChEMBL: CHEMBL574
DrugBank: DB17299
ZINC: ZINC000000388056
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)(download the PDF file).
  • 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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