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Attributes

UniProt ID
A0A0S4TER9
Protein Name
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand Name
METHOTREXATE
DrugBank ID
DB00563
PDB Ligand Accession
MTX
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.

Mol*
Structure: 6OJS
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Color Legend
Unassigned regionsLigand / hetero atomse6ojsA1e6ojsA2e6ojsB1e6ojsB2e6ojsC1e6ojsC2e6ojsD1e6ojsD2e6ojsE1e6ojsE2
ECOD domains from experimental PDB structures interacting with ligand DB00563
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
A0A0S4TER9DB00563MTX6ojse6ojsA2A:3-184
A0A0S4TER9DB00563MTX6ojse6ojsB2B:3-184
A0A0S4TER9DB00563MTX6ojse6ojsC2C:3-184
A0A0S4TER9DB00563MTX6ojse6ojsD1D:3-184
A0A0S4TER9DB00563MTX6ojse6ojsE2E:3-184
A0A0S4TER9DB00563MTX6pf7e6pf7A2A:3-181
A0A0S4TER9DB00563MTX6pf7e6pf7B1B:3-179
A0A0S4TER9DB00563MTX6pf7e6pf7C1C:3-179
A0A0S4TER9DB00563MTX6pf7e6pf7D2D:3-179
A0A0S4TER9DB00563MTX6pf7e6pf7E2E:3-179
A0A0S4TER9DB00563MTX6pf8e6pf8A2A:3-179
A0A0S4TER9DB00563MTX6pf8e6pf8B1B:3-179
A0A0S4TER9DB00563MTX6pf8e6pf8C2C:3-178
A0A0S4TER9DB00563MTX6pf8e6pf8D2D:3-179
A0A0S4TER9DB00563MTX6pf8e6pf8E2E:3-179
A0A0S4TER9DB00563MTX6pf9e6pf9A2A:3-179
A0A0S4TER9DB00563MTX6pf9e6pf9B2B:3-179
A0A0S4TER9DB00563MTX6pf9e6pf9C2C:3-179
A0A0S4TER9DB00563MTX6pf9e6pf9D1D:3-179
A0A0S4TER9DB00563MTX6pf9e6pf9E2E:3-178
A0A0S4TER9DB00563MTX6pfae6pfaA1A:3-179
A0A0S4TER9DB00563MTX6pfae6pfaB2B:3-179
A0A0S4TER9DB00563MTX6pfae6pfaC1C:3-178
A0A0S4TER9DB00563MTX6pfae6pfaD2D:3-179
A0A0S4TER9DB00563MTX6pfae6pfaE1E:3-179
A0A0S4TER9DB00563MTX6pfbe6pfbA2A:3-178
A0A0S4TER9DB00563MTX6pfbe6pfbB2B:3-178
A0A0S4TER9DB00563MTX6pfbe6pfbC1C:3-179
A0A0S4TER9DB00563MTX6pfbe6pfbD1D:3-179
A0A0S4TER9DB00563MTX6pfbe6pfbE2E:3-178
A0A0S4TER9DB00563MTX6pfce6pfcA1A:3-184
A0A0S4TER9DB00563MTX6pfce6pfcB1B:3-179
A0A0S4TER9DB00563MTX6pfce6pfcC1C:3-179
A0A0S4TER9DB00563MTX6pfce6pfcD2D:3-179
A0A0S4TER9DB00563MTX6pfce6pfcE2E:3-179
A0A0S4TER9DB00563MTX6pfde6pfdA1A:3-179
A0A0S4TER9DB00563MTX6pfde6pfdB1B:3-179
A0A0S4TER9DB00563MTX6pfde6pfdC2C:3-179
A0A0S4TER9DB00563MTX6pfde6pfdD1D:3-179
A0A0S4TER9DB00563MTX6pfde6pfdE2E:3-179
A0A0S4TER9DB00563MTX6pfee6pfeA1A:3-179
A0A0S4TER9DB00563MTX6pfee6pfeB2B:3-179
A0A0S4TER9DB00563MTX6pfee6pfeC1C:3-179
A0A0S4TER9DB00563MTX6pfee6pfeD2D:3-179
A0A0S4TER9DB00563MTX6pfee6pfeE1E:3-178
A0A0S4TER9DB00563MTX6pffe6pffA2A:3-179
A0A0S4TER9DB00563MTX6pffe6pffB1B:3-179
A0A0S4TER9DB00563MTX6pffe6pffC2C:3-179
A0A0S4TER9DB00563MTX6pffe6pffD1D:3-179
A0A0S4TER9DB00563MTX6pffe6pffE1E:3-179
A0A0S4TER9DB00563MTX6pfge6pfgA1A:3-178
A0A0S4TER9DB00563MTX6pfge6pfgB1B:3-179
A0A0S4TER9DB00563MTX6pfge6pfgC2C:3-179
A0A0S4TER9DB00563MTX6pfge6pfgD2D:3-179
A0A0S4TER9DB00563MTX6pfge6pfgE2E:3-179
A0A0S4TER9DB00563MTX6pfhe6pfhA1A:3-179
A0A0S4TER9DB00563MTX6pfhe6pfhB1B:3-179
A0A0S4TER9DB00563MTX6pfhe6pfhC2C:3-179
A0A0S4TER9DB00563MTX6pfhe6pfhD2D:3-179
A0A0S4TER9DB00563MTX6pfhe6pfhE2E:3-179
A0A0S4TER9DB00563MTX6pfie6pfiA2A:3-179
A0A0S4TER9DB00563MTX6pfie6pfiB2B:3-179
A0A0S4TER9DB00563MTX6pfie6pfiC1C:3-179
A0A0S4TER9DB00563MTX6pfie6pfiD1D:3-179
A0A0S4TER9DB00563MTX6pfie6pfiE1E:3-179
A0A0S4TER9DB00563MTX6wepe6wepA2A:3-178
A0A0S4TER9DB00563MTX6wepe6wepB1B:3-178