SEQ2FUN

BioLiP

PDB CCD ID: SVO
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N3 O4 S
InChI: InChI=1S/C8H11N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6,9H,1-2H3
InChIKey: MFSGHOZRLKMKMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)c1ccc(cc1)[S](=O)(=O)N[N+]([O-])=O
OpenEye OEToolkits 2.0.7CN(C)c1ccc(cc1)S(=O)(=O)N[N+](=O)[O-]
Name:4-(dimethylamino)-~{N}-nitro-benzenesulfonamide
ChEMBL: CHEMBL3819628
ZINC: ZINC000653912184
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).