Structure of PDB 8pi1 Chain F Binding Site BS01 |
|
|
|
| Ligand ID | ZIZ |
| 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 |
|
| Formula | C15 H21 I3 N6 O6 |
| Name | N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 8pi1 Chain D Residue 401
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
