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BioLiP

PDB CCD ID: JAF
Number of entries in BioLiP: 1
Chemical formula: C15 H17 N O4 S
InChI: InChI=1S/C15H17NO4S/c1-10-8-12(17)9-11(2)15(10)16-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,16-17H,1-3H3
InChIKey: UXSFANIQULVRMS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc(cc(c1NS(=O)(=O)c2ccc(cc2)OC)C)O
CACTVS 3.370COc1ccc(cc1)[S](=O)(=O)Nc2c(C)cc(O)cc2C
ACDLabs 12.01O=S(=O)(Nc1c(cc(O)cc1C)C)c2ccc(OC)cc2
Name:N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
ChEMBL: CHEMBL2440218
ZINC: ZINC000000193558
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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