Attributes
UniProt ID
Protein Name
thymidine kinase
Ligand Name
[(2R,3S,5R)-3-HYDROXY-5-[(5S)-5-METHYL-2,4-DIOXO-1,3-DIAZINAN-1-YL]OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
PGRQANKWVMVANW-RULNZFCNSA-N
SMILES
CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5FUW
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Color Legend
Unassigned regionsLigand / hetero atomse5fuwA1e5fuwA2e5fuwB1e5fuwB2
ECOD domains from experimental PDB structures interacting with ligand QBT
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q38CF2 | n/a | QBT | 5fuw | e5fuwA1 | A:325-384 |
| Q38CF2 | n/a | QBT | 5fuw | e5fuwA2 | A:203-324 |
| Q38CF2 | n/a | QBT | 5fux | e5fuxA1 | A:203-324 |
| Q38CF2 | n/a | QBT | 5fux | e5fuxA2 | A:325-384 |
| Q38CF2 | n/a | QBT | 5fux | e5fuxB1 | B:325-384 |
| Q38CF2 | n/a | QBT | 5fux | e5fuxB2 | B:204-324 |
| Q38CF2 | n/a | QBT | 5fuy | e5fuyA1 | A:204-324 |
| Q38CF2 | n/a | QBT | 5fuy | e5fuyA2 | A:325-384 |
| Q38CF2 | n/a | QBT | 5fuy | e5fuyB1 | B:205-324 |
| Q38CF2 | n/a | QBT | 5fuy | e5fuyB2 | B:325-383 |
| Q38CF2 | n/a | QBT | 5fuy | e5fuyC1 | C:204-324 |
| Q38CF2 | n/a | QBT | 5fuy | e5fuyC2 | C:325-384 |
| Q38CF2 | n/a | QBT | 5fuy | e5fuyD1 | D:324-382 |
| Q38CF2 | n/a | QBT | 5fuy | e5fuyD2 | D:203-242,D:262-323 |
| Q38CF2 | n/a | QBT | 5fuy | e5fuyE1 | E:325-385 |
| Q38CF2 | n/a | QBT | 5fuy | e5fuyE2 | E:204-324 |
| Q38CF2 | n/a | QBT | 5fuy | e5fuyF1 | F:325-384 |
| Q38CF2 | n/a | QBT | 5fuy | e5fuyF2 | F:204-324 |