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BioLiP

PDB CCD ID: RYV
Number of entries in BioLiP: 1
Chemical formula: C9 H12 N2 O3 S
InChI: InChI=1S/C9H12N2O3S/c1-2-11-9(12)7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
InChIKey: TVIHIVRFUPNIRD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCNC(=O)c1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.2CCNC(=O)c1ccc(cc1)S(=O)(=O)N
ACDLabs 12.01O=S(=O)(N)c1ccc(C(=O)NCC)cc1
Name:N-ethyl-4-sulfamoylbenzamide
ChEMBL: CHEMBL310253
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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