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BioLiP

PDB CCD ID: EON
Number of entries in BioLiP: 2
Chemical formula: C14 H15 N3 O5 S
InChI: InChI=1S/C14H15N3O5S/c1-22-13-5-3-2-4-10(13)16-14(19)17-11-8-9(23(15,20)21)6-7-12(11)18/h2-8,18H,1H3,(H2,15,20,21)(H2,16,17,19)
InChIKey: TYTZFKRSGVNIDM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccccc1NC(=O)Nc2cc(ccc2O)S(=O)(=O)N
CACTVS 3.385COc1ccccc1NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O
Name:1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
ChEMBL: CHEMBL4282828
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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