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BioLiP

PDB CCD ID: UE7
Number of entries in BioLiP: 2
Chemical formula: C9 H13 N3 O3 S
InChI: InChI=1S/C9H13N3O3S/c1-2-11-9(13)12-7-3-5-8(6-4-7)16(10,14)15/h3-6H,2H2,1H3,(H2,10,14,15)(H2,11,12,13)
InChIKey: MMKFCCLMBRGOIK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7CCNC(=O)Nc1ccc(cc1)S(=O)(=O)N
Name:1-ethyl-3-(4-sulfamoylphenyl)urea;
4-(3-ethylureido)benzenesulfonamide
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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