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Yorodumi- ChemComp-XTA: (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimid... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: XTA |
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Name | Name: ( |
-Chemical information
Composition | Formula: C28H32Cl2N6O3 / Number of atoms: 71 / Formula weight: 571.498 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: XTA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7LCU | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / PubChem / SureChEMBL / 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 1.03 |
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-InChIKey
InChI 1.03 |
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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-7lcu:
X-ray structure of Furin bound to BOS-318, a small molecule inhibitor