SEQ2FUN

BioLiP

PDB CCD ID: HRC
Number of entries in BioLiP: 3
Chemical formula: C14 H15 N O3 S
InChI: InChI=1S/C14H15NO3S/c1-10-8-12(16)9-11(2)14(10)15-19(17,18)13-6-4-3-5-7-13/h3-9,15-16H,1-2H3
InChIKey: GLDVWHQVGHPIFH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1cc(O)cc(C)c1N[S](=O)(=O)c2ccccc2
ACDLabs 12.01O=S(=O)(Nc1c(cc(O)cc1C)C)c2ccccc2
OpenEye OEToolkits 1.7.6Cc1cc(cc(c1NS(=O)(=O)c2ccccc2)C)O
Name:N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
ChEMBL: CHEMBL2440208
ZINC: ZINC000000193455
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).