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BioLiP

PDB CCD ID: A1IK2
Number of entries in BioLiP: 1
Chemical formula: C17 H21 N3 O5 S
InChI: InChI=1S/C17H21N3O5S/c1-24-13-8-6-12(7-9-13)14-11-26-17(18-14)16(22)20-25-10-4-2-3-5-15(21)19-23/h6-9,11,23H,2-5,10H2,1H3,(H,19,21)(H,20,22)
InChIKey: LAFLKLWIJPLLQL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COc1ccc(cc1)c2csc(n2)C(=O)NOCCCCCC(=O)NO
Name:4-(4-methoxyphenyl)-~{N}-[6-(oxidanylamino)-6-oxidanylidene-hexoxy]-1,3-thiazole-2-carboxamide
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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