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BioLiP

PDB CCD ID: WGY
Number of entries in BioLiP: 3
Chemical formula: C9 H12 N2 O3 S
InChI: InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
InChIKey: KEFCIQSZJXXOLO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=O)Nc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O
ACDLabs 12.01NS(c1ccc(cc1)NC(=O)CC)(=O)=O
Name:N-(4-sulfamoylphenyl)propanamide
ChEMBL: CHEMBL278395
ZINC: ZINC000000381801
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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