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BioLiP

PDB CCD ID: Z88
Number of entries in BioLiP: 2
Chemical formula: C8 H8 Br N O3 S
InChI: InChI=1S/C8H8BrNO3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKey: GUSSBUVTIMQOBB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=O)NS(=O)(=O)c1ccc(cc1)Br
CACTVS 3.352CC(=O)N[S](=O)(=O)c1ccc(Br)cc1
Name:N-[(4-bromophenyl)sulfonyl]acetamide
ZINC: ZINC000000242755
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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