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Yorodumi- ChemComp-H36: N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carbo... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: H36 |
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Name | Name: |
-Chemical information
Composition | Formula: C24H22N4O2S2 / Number of atoms: 54 / Formula weight: 462.587 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: H36 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4KCJ | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / SureChEMBL / ZINC / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | [ | |
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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 1.7.6 | |
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-PDB entries
Showing all 2 items
PDB-4kcj:
Structure of neuronal nitric oxide synthase heme domain in complex with N,N'-((ethane-1,2-diylbis(oxy))bis(3,1-phenylene))bis(thiophene-2-carboximidamide)
PDB-4ugs:
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N,N'-(ethane-1,2-diylbis(oxybenzene-3,1-diyl))dithiophene-2- carboximidamide