SEQ2FUN

BioLiP

PDB CCD ID: 8MN
Number of entries in BioLiP: 1
Chemical formula: C8 H9 Cl N2 O S
InChI: InChI=1S/C8H9ClN2OS/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChIKey: SXJWSRUPDZKESM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1SCC(=O)NN)Cl
CACTVS 3.385NNC(=O)CSc1ccc(Cl)cc1
Name:2-(4-chlorophenyl)sulfanylethanehydrazide
ZINC: ZINC000000150878
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).