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Attributes

UniProt ID
Protein Name
Thymidylate kinase
Ligand Name
1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IJDGQXGQAWBJEG-BFHYXJOUSA-N
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 2YOF
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Color Legend
Unassigned regionsLigand / hetero atomse2yofA1e2yofB1e2yofC1
ECOD domains from experimental PDB structures interacting with ligand 74W
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q8I4S1n/a74W2yofe2yofA1A:3-210
Q8I4S1n/a74W2yofe2yofB1B:1-210
Q8I4S1n/a74W2yofe2yofC1C:3-210