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BioLiP

PDB CCD ID: HS7
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 O4 S
InChI: InChI=1S/C8H8N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKey: LBEMJFIVKDOIBO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)S(=O)(=O)NCC(=O)N=O
CACTVS 3.341O=NC(=O)CN[S](=O)(=O)c1ccccc1
ACDLabs 10.04O=S(=O)(NCC(=O)N=O)c1ccccc1
Name:N-oxo-2-(phenylsulfonylamino)ethanamide;
N-(2-nitroso-2-oxoethyl)benzenesulfonamide
DrugBank: DB07922
ZINC: ZINC000039715795
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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