SEQ2FUN

BioLiP

PDB CCD ID: Q96
Number of entries in BioLiP: 2
Chemical formula: C8 H13 N3 O2 S
InChI: InChI=1S/C8H13N3O2S/c1-10-8-4-3-6(5-7(8)9)14(12,13)11-2/h3-5,10-11H,9H2,1-2H3
InChIKey: BSCVJYVFYUNMQC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNc1ccc(cc1N)[S](=O)(=O)NC
OpenEye OEToolkits 3.1.0.0CNc1ccc(cc1N)S(=O)(=O)NC
Name:3-azanyl-~{N}-methyl-4-(methylamino)benzenesulfonamide
ChEMBL: CHEMBL4925930
ZINC: ZINC000004825077
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).