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BioLiP

PDB CCD ID: RZ8
Number of entries in BioLiP: 1
Chemical formula: C13 H20 N2 O3 S
InChI: InChI=1S/C13H20N2O3S/c1-2-3-4-5-10-15-13(16)11-6-8-12(9-7-11)19(14,17)18/h6-9H,2-5,10H2,1H3,(H,15,16)(H2,14,17,18)
InChIKey: KLHBIQFDNTURJX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.2CCCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N
ACDLabs 12.01O=S(=O)(N)c1ccc(C(=O)NCCCCCC)cc1
Name:N-hexyl-4-sulfamoylbenzamide
ChEMBL: CHEMBL72963
ZINC: ZINC000013603120
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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