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Yorodumi- ChemComp-XKR: N-{(1S)-2-amino-1-[4,5-bis(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: XKR |
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Name | Name: Synonyms: NBD-14208 |
-Chemical information
Composition | Formula: C18H17ClF2N4O3S / Number of atoms: 46 / Formula weight: 442.867 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: XKR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8FA0 | ||||
History |
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External links | UniChem / ChEMBL / 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-8fa0:
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14208, an HIV-1 gp120 antagonist