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BioLiP

PDB CCD ID: U7M
Number of entries in BioLiP: 2
Chemical formula: C11 H17 N3 O3 S
InChI: InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-9-4-6-10(7-5-9)18(12,16)17/h4-7H,2-3,8H2,1H3,(H2,12,16,17)(H2,13,14,15)
InChIKey: KRWAZLNUJVEUNK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385CCCCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O
Name:1-butyl-3-(4-sulfamoylphenyl)urea;
4-(3-butylureido)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)(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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