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Yorodumi- ChemComp-22A: 7-({[2-hydroxy-1-(hydroxymethyl)ethyl]amino}methyl)-3,5-dihydro-4... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 22A |
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Name | Name: |
-Chemical information
Composition | Formula: C10H14N4O3 / Number of atoms: 31 / Formula weight: 238.243 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 22A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3K8Q | ||||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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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 1.7.0 | |
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-PDB entries
Showing all 1 items
PDB-3k8q:
Crystal structure of human purine nucleoside phosphorylase in complex with SerMe-Immucillin H