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BioLiP

PDB CCD ID: TG4
Number of entries in BioLiP: 1
Chemical formula: C14 H23 N3 O3 S
InChI: InChI=1S/C14H23N3O3S/c1-2-3-9-16-11-14(18)17-10-8-12-4-6-13(7-5-12)21(15,19)20/h4-7,16H,2-3,8-11H2,1H3,(H,17,18)(H2,15,19,20)
InChIKey: IQOGKBSHXIOYJQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCCCNCC(=O)NCCc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385CCCCNCC(=O)NCCc1ccc(cc1)[S](N)(=O)=O
Name:2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide
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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