+Open data
-Basic information
Entry | Database: PDB chemical components / ID: DX4 | ||
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Name | Name: Comment | medication*YM | |
-Chemical information
Composition | Formula: C5H5N5S / Number of atoms: 16 / Formula weight: 167.192 / Formal charge: 0 | ||||
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Others | 3bmg | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 6 items
PDB-3jqa:
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-1,9-dihydro-6H-purine-6-thione (DX4)
PDB-3rkf:
Crystal structure of guanine riboswitch C61U/G37A double mutant bound to thio-guanine
PDB-4m5m:
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
PDB-4xoy:
Crystal structure of ERK2 in complex with an inhibitor
PDB-4xp3:
Crystal structure of ERK2 in complex with an inhibitor
PDB-5xu8:
Crystal structure of human USP2 in complex with ubiquitin and 6-thioguanine