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Yorodumi- ChemComp-XKW: (5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: XKW |
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Name | Name: ( |
-Chemical information
Composition | Formula: C17H16F3N5O2S / Number of atoms: 44 / Formula weight: 411.401 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: XKW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8F9Z | ||||
History |
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External links | UniChem / ChEMBL / PubChem / 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-8f9z:
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14204, an HIV-1 gp120 antagonist