Structure of PDB 5b34 Chain A Binding Site BS02 |
|
|
Ligand ID | 4QL |
InChI | InChI=1S/C16H18I3NO5/c1-2-3-4-5-6-7-8(21)20-14-12(18)9(15(22)23)11(17)10(13(14)19)16(24)25/h2-7H2,1H3,(H,20,21)(H,22,23)(H,24,25) |
InChIKey | STMIUHPXRYKWPU-UHFFFAOYSA-N |
SMILES | Software | SMILES |
---|
OpenEye OEToolkits 2.0.4 | CCCCCCCC(=O)Nc1c(c(c(c(c1I)C(=O)O)I)C(=O)O)I | CACTVS 3.385 | CCCCCCCC(=O)Nc1c(I)c(C(O)=O)c(I)c(C(O)=O)c1I |
|
Formula | C16 H18 I3 N O5 |
Name | 2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid |
ChEMBL | |
DrugBank | |
ZINC | ZINC000584905037
|
PDB chain | 5b34 Chain A Residue 303
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
Enzyme Commision number |
? |
|
|
|