+Open data
-Basic information
Entry | Database: PDB chemical components / ID: DTC | ||
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Name | Name: Comment | anticoagulant, inhibitor*YM | |
-Chemical information
Composition | Formula: C19H12O6 / Number of atoms: 37 / Formula weight: 336.295 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DTC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1OOQ | ||||||||
History |
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External links | UniChem / DrugBank / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 1.7.2 | |
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-PDB entries
Showing all 5 items
PDB-1ooq:
Nitroreductase from e-coli in complex with the inhibitor dicoumarol
PDB-2f1o:
Crystal Structure of NQO1 with Dicoumarol
PDB-2z9c:
The crystal structure of AzoR (azoreductase) from Escherichia coli: AzoR in complex with dicoumarol
PDB-4cet:
Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with dicoumarol at 2.2 A resolution
PDB-5fuq:
CRYSTAL STRUCTURE OF THE H80R VARIANT OF NQO1 BOUND TO DICOUMAROL