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BioLiP

PDB CCD ID: T0S
Number of entries in BioLiP: 2
Chemical formula: C9 H12 N2 O3 S
InChI: InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)
InChIKey: AHQONKCJXWTTOW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)NCc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385CC(=O)NCc1ccc(cc1)[S](N)(=O)=O
ACDLabs 12.01c1c(ccc(CNC(C)=O)c1)S(N)(=O)=O
Name:N-[(4-sulfamoylphenyl)methyl]acetamide
ChEMBL: CHEMBL72962
ZINC: ZINC000001655993
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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