BioLiP

PDB

BioLiP

PDB CCD ID:

ZIZ

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI
OpenEye OEToolkits 2.0.7	C1N(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, Lydia 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).