Molecule Details
| InChIKey | XJLATMLVMSFZBN-VYDXJSESSA-N |
|---|---|
| Compound Name | Actinonin |
| Canonical SMILES | CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.98 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04310 |
|---|---|
| Drug Name | 2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide |
| CAS Number | 13434-13-4 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50089194 CHEMBL308333 ChemSpider: 391756 C12056 PDB: BB2 PubChem:443600 PubChem:46505294 ZINC: ZINC000003979014
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9HBH1 | Homo sapiens | Human | PF01327 | 7.8 | IC50 | ChEMBL;BindingDB | |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.7 | Ki | BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.5 | Ki | BindingDB |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.5 | Ki | BindingDB |
| P15144 | ANPEP | Homo sapiens | Human | PF11838 PF01433 PF17900 | 6.4 | IC50 | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| Q9JN24 | def | Escherichia coli | Pathogen | PF01327 | 8.0 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O31410 | O31410 | Peptide deformylase 2 | binder | targets |
| P0A6K3 | def | Peptide deformylase | binder | targets |
| P68771 | P68771 | Peptide deformylase | binder | targets |
| Q819K2 | Q819K2 | Peptide deformylase 2 | binder | targets |
| Q819U0 | Q819U0 | Peptide deformylase 1 | binder | targets |
| Q82ZJ0 | Q82ZJ0 | Peptide deformylase | binder | targets |
| Q8NX78 | Q8NX78 | Peptide deformylase | binder | targets |
| Q93LE9 | Q93LE9 | Peptide deformylase | binder | targets |
| Q9HBH1 | Peptide deformylase, mitochondrial | binder | targets | |
| Q9I7A8 | Q9I7A8 | Peptide deformylase | binder | targets |
| P68826 | def | Peptide deformylase | inhibitor | targets |