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Yorodumi- ChemComp-2XL: 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2XL |
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Name | Name: Synonyms: 5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenol |
-Chemical information
Composition | Formula: C18H21N5O2S2 / Number of atoms: 48 / Formula weight: 403.522 / Formal charge: 0 | ||||||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2XL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4Q19 | ||||||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEMBL / PubChem / ZINC / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-4q19:
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 5 {5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOL}