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BioLiP

PDB CCD ID: ZIZ
Number of entries in BioLiP: 14
Chemical formula: C15 H21 I3 N6 O6
InChI: InChI=1S/C15H21I3N6O6/c16-1-10(25)19-4-13(28)22-7-23(14(29)5-20-11(26)2-17)9-24(8-22)15(30)6-21-12(27)3-18/h1-9H2,(H,19,25)(H,20,26)(H,21,27)
InChIKey: NQXMSMNRHYWXDM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI
OpenEye OEToolkits 2.0.7C1N(CN(CN1C(=O)CNC(=O)CI)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI
Name:N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-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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