SEQ2FUN

BioLiP

PDB CCD ID: 9V5
Number of entries in BioLiP: 1
Chemical formula: C12 H8 Cl N O4 S
InChI: InChI=1S/C12H8ClNO4S/c13-9-6-7-12(11(8-9)14(15)16)19(17,18)10-4-2-1-3-5-10/h1-8H
InChIKey: VZDUQPHKUBZMLW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])Cl
CACTVS 3.385[O-][N+](=O)c1cc(Cl)ccc1[S](=O)(=O)c2ccccc2
Name:4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene;
BIS-TRIS BUFFER
ChEMBL: CHEMBL1990168
ZINC: ZINC000000150557
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).