Attributes
UniProt ID
Protein Name
Serine/threonine-protein kinase TBK1
Ligand Name
N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VAVXGGRQQJZYBL-UHFFFAOYSA-N
SMILES
c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4cccs4)I
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4EUT
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Color Legend
Unassigned regionsLigand / hetero atomse4eutA1e4eutA2e4eutB1e4eutB2
ECOD domains from experimental PDB structures interacting with ligand BX7
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q9UHD2 | n/a | BX7 | 4eut | e4eutA2 | A:0-307 |
| Q9UHD2 | n/a | BX7 | 4eut | e4eutB1 | B:0-307 |
| Q9UHD2 | n/a | BX7 | 4euu | e4euuA1 | A:0-307 |
| Q9UHD2 | n/a | BX7 | 4euu | e4euuB1 | B:0-307 |
| Q9UHD2 | n/a | BX7 | 4im2 | e4im2A1 | A:-1-306 |
| Q9UHD2 | n/a | BX7 | 4im3 | e4im3A1 | A:-1-159,A:200-306 |
| Q9UHD2 | n/a | BX7 | 4iw0 | e4iw0A1 | A:0-306 |
| Q9UHD2 | n/a | BX7 | 4iwp | e4iwpA2 | A:-1-307 |
| Q9UHD2 | n/a | BX7 | 6o8b | e6o8bA1 | A:-5-306 |
| Q9UHD2 | n/a | BX7 | 6o8b | e6o8bB1 | B:-2-306 |