Attributes
UniProt ID
Protein Name
Thymidylate synthase
Ligand Name
METHOTREXATE
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FBOZXECLQNJBKD-ZDUSSCGKSA-N
SMILES
CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5X66
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Color Legend
Unassigned regionsLigand / hetero atomse5x66A1e5x66B1e5x66C1e5x66D1e5x66E1e5x66F1
ECOD domains from experimental PDB structures interacting with ligand DB00563