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BioLiP

PDB CCD ID: TF9
Number of entries in BioLiP: 1
Chemical formula: C15 H20 N2 O4 S
InChI: InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
InChIKey: VGZSUPCWNCWDAN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2
CACTVS 3.385CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2
Name:acetohexamide;
1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea
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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