SEQ2FUN

BioLiP

PDB CCD ID: 4NZ
Number of entries in BioLiP: 4
Chemical formula: C6 H6 N2 O4 S
InChI: InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
InChIKey: QWKKYJLAUWFPDB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N
CACTVS 3.370N[S](=O)(=O)c1ccc(cc1)[N+]([O-])=O
ACDLabs 12.01O=S(=O)(N)c1ccc([N+]([O-])=O)cc1
Name:4-nitrobenzenesulfonamide
ChEMBL: CHEMBL282157
ZINC: ZINC000001031283
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).