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Yorodumi- ChemComp-S3E: [(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S3E |
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Name | Name: [( |
-Chemical information
Composition | Formula: C12H14N4O3 / Number of atoms: 33 / Formula weight: 262.265 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: S3E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SP2 | ||||
History |
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External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | [(OpenEye OEToolkits 2.0.7 | |
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-PDB entries
Showing all 1 items
PDB-5sp2:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000579359572 - (R) and (S) isomers