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Dihydrofolate reductase-thymidylate synthase. predicted to bind 6 ligands [LYD LYA DUR UFP DDU SUL]

UniPort id: A7UD81 [P. falciparum]
Target keywords: Anti-Arrhythmia Agents; ; Antimetabolites; Calcium Channel Blockers; Analgesics; Antineoplastic Agents; A7UD81; Antiviral Agents; Antineoplastics; Anesthetics; Enzyme Inhibitors; Methyltransferase; Transferase.; Anticonvulsants; Folic Acid Antagonists; Tocolytic Agents
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Binding site prediction to approved drugs (need help reading this page?):

PDB Template Model Ligand Exact SupStr SubStr Similar
+
 1dduB 100.00/100.00 1qzfA 42.00/1.29 PFD0830w.1.pdb 92.31/100.00 DDU DB00322 DB00432 DB00322 DB00432

Shwon ligand DDU 2′-5′DIDEOXYURIDINE expanded from 1dduB to template 1qzfA used for building a 3D model of PFD0830w.1.pdb. Donwload the coordinates data/A7UD81/A7UD81.DDU.532.pdb

DB00432 Trifluridine

Small Molecule; Approved

Drug categories:

  • Antimetabolites
  • Antiviral Agents
Drug indication:

Ophthalmic solution for the treatment of primay keratoconjunctivitis and recurrent epithelial keratitis due to herpes simplex virus, types 1 and 2.
DB00322 Floxuridine

Small Molecule; Approved

Drug categories:

  • Antineoplastics
  • Antimetabolites
Drug indication:

For palliative management of gastrointestinal adenocarcinoma metastatic to the liver, when given by continuous regional intra-arterial infusion in carefully selected patients who are considered incurable by surgery or other means.
+
 2tdd_ 93.33/100.00 1qzfA 42.00/1.29 PFD0830w.1.pdb 95.45/100.00 UFP DB00322 DB00322

Shwon ligand UFP 5-FLUORO-2′-DEOXYURIDINE-5′-MONOPHOSPHATE expanded from 2tdd_ to template 1qzfA used for building a 3D model of PFD0830w.1.pdb. Donwload the coordinates data/A7UD81/A7UD81.UFP.529.pdb

DB00322 Floxuridine

Small Molecule; Approved

Drug categories:

  • Antineoplastics
  • Antimetabolites
Drug indication:

For palliative management of gastrointestinal adenocarcinoma metastatic to the liver, when given by continuous regional intra-arterial infusion in carefully selected patients who are considered incurable by surgery or other means.
+
 1jutB 86.67/100.00 1qzfA 42.00/1.29 PFD0830w.1.pdb 92.86/100.00 LYD DB00642

Shwon ligand LYD 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRICACID expanded from 1jutB to template 1qzfA used for building a 3D model of PFD0830w.1.pdb. Donwload the coordinates data/A7UD81/A7UD81.LYD.305.pdb

DB00642 Pemetrexed

Small Molecule; Approved; Investigational

Drug categories:

  • Antineoplastic Agents
  • Antimetabolites
  • Enzyme Inhibitors
  • Folic Acid Antagonists
Drug indication:

For the treatment of malignant pleural mesothelioma and locally advanced or metastatic non-small cell lung cancer (NSCLC) after prior chemotherapy
+
 1tduA 94.12/100.00 1qzfA 42.00/1.29 PFD0830w.1.pdb 88.24/100.00 DUR DB00322 DB00432 DB00322 DB00432

Shwon ligand DUR 2′-DEOXYURIDINE expanded from 1tduA to template 1qzfA used for building a 3D model of PFD0830w.1.pdb. Donwload the coordinates data/A7UD81/A7UD81.DUR.301.pdb

DB00432 Trifluridine

Small Molecule; Approved

Drug categories:

  • Antimetabolites
  • Antiviral Agents
Drug indication:

Ophthalmic solution for the treatment of primay keratoconjunctivitis and recurrent epithelial keratitis due to herpes simplex virus, types 1 and 2.
DB00322 Floxuridine

Small Molecule; Approved

Drug categories:

  • Antineoplastics
  • Antimetabolites
Drug indication:

For palliative management of gastrointestinal adenocarcinoma metastatic to the liver, when given by continuous regional intra-arterial infusion in carefully selected patients who are considered incurable by surgery or other means.
+
 1ju6D 94.12/100.00 1qzfA 42.00/1.29 PFD0830w.1.pdb 84.21/100.00 LYA DB00642 DB00642 DB00642 DB00642

Shwon ligand LYA 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOICACID expanded from 1ju6D to template 1qzfA used for building a 3D model of PFD0830w.1.pdb. Donwload the coordinates data/A7UD81/A7UD81.LYA.304.pdb

DB00642 Pemetrexed

Small Molecule; Approved; Investigational

Drug categories:

  • Antineoplastic Agents
  • Antimetabolites
  • Enzyme Inhibitors
  • Folic Acid Antagonists
Drug indication:

For the treatment of malignant pleural mesothelioma and locally advanced or metastatic non-small cell lung cancer (NSCLC) after prior chemotherapy
+
 1f4fB 100.00/100.00 1qzfA 42.00/1.29 PFD0830w.1.pdb 100.00/100.00 SUL DB00653 DB00653

Shwon ligand SUL SULFATEANION expanded from 1f4fB to template 1qzfA used for building a 3D model of PFD0830w.1.pdb. Donwload the coordinates data/A7UD81/A7UD81.SUL.801.pdb

DB00653 Magnesium Sulfate

Small Molecule; Approved

Drug categories:

  • Analgesics
  • Anesthetics
  • Anti-Arrhythmia Agents
  • Anticonvulsants
  • Calcium Channel Blockers
  • Tocolytic Agents
Drug indication:

Used for immediate control of life-threatening convulsions in the treatment of severe toxemias (pre-eclampsia and eclampsia) of pregnancy and in the treatment of acute nephritis in children. Also indicated for replacement therapy in magnesium deficiency, especially in acute hypomagnesemia accompanied by signs of tetany similar to those of hypocalcemia. Also used in uterine tetany as a myometriat relaxant.

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