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BioLiP

PDB CCD ID: 64W
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N3 O3 S
InChI: InChI=1S/C8H11N3O3S/c1-10-8(12)11-6-2-4-7(5-3-6)15(9,13)14/h2-5H,1H3,(H2,9,13,14)(H2,10,11,12)
InChIKey: CNNRTLYSXSQFBO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)Nc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7CNC(=O)Nc1ccc(cc1)S(=O)(=O)N
ACDLabs 12.01O=S(N)(=O)c1ccc(NC(=O)NC)cc1
Name:4-[(methylcarbamoyl)amino]benzene-1-sulfonamide
ChEMBL: CHEMBL1567770
ZINC: ZINC000000398332
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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