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BioLiP

PDB CCD ID: TG5
Number of entries in BioLiP: 1
Chemical formula: C12 H19 N3 O3 S
InChI: InChI=1S/C12H19N3O3S/c1-2-3-8-14-9-12(16)15-10-4-6-11(7-5-10)19(13,17)18/h4-7,14H,2-3,8-9H2,1H3,(H,15,16)(H2,13,17,18)
InChIKey: RSJVJFMYAFZYGN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCNCC(=O)Nc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.4CCCCNCC(=O)Nc1ccc(cc1)S(=O)(=O)N
Name:2-(butylamino)-~{N}-(4-sulfamoylphenyl)ethanamide
ZINC: ZINC000003426963
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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