SEQ2FUN

BioLiP

PDB CCD ID: J4J
Number of entries in BioLiP: 16
Chemical formula: C8 H9 N3 O3 S
InChI: InChI=1S/C8H9N3O3S/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)
InChIKey: CZXFCCXLFQCYBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=[N+](c1ccccc1SCC(NN)=O)[O-]
CACTVS 3.385NNC(=O)CSc1ccccc1[N+]([O-])=O
OpenEye OEToolkits 2.0.6c1ccc(c(c1)[N+](=O)[O-])SCC(=O)NN
Name:2-[(2-nitrophenyl)sulfanyl]acetohydrazide
ChEMBL: CHEMBL3727969
ZINC: ZINC000000079219
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).