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Yorodumi- ChemComp-82M: N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]et... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 82M |
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Name | Name: |
-Chemical information
Composition | Formula: C18H18ClFN4O2S / Number of atoms: 45 / Formula weight: 408.878 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 82M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5U6E | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / PubChem / 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 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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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 2.0.6 | ~{ | |
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-PDB entries
Showing all 1 items
PDB-5u6e:
Crystal structure of clade A/E HIV-1 gp120 core in complex with NBD-14010