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BioLiP

PDB CCD ID: W0Y
Number of entries in BioLiP: 9
Chemical formula: C8 H10 N2 O3 S
InChI: InChI=1S/C8H10N2O3S/c1-10-8(11)6-2-4-7(5-3-6)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)
InChIKey: CTDFBRMMEMHBEO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)c1ccc(cc1)S(=O)(=O)N
ACDLabs 12.01NS(c1ccc(cc1)C(NC)=O)(=O)=O
CACTVS 3.385CNC(=O)c1ccc(cc1)[S](N)(=O)=O
Name:N-methyl-4-sulfamoylbenzamide
ChEMBL: CHEMBL67676
ZINC: ZINC000000403245
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)(download the PDF file).
  • 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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