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Yorodumi- ChemComp-O1S: 6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: O1S |
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Name | Name: |
-Chemical information
Composition | Formula: C15H17N5OS / Number of atoms: 39 / Formula weight: 315.393 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: O1S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6P5M | ||||
History |
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External links | BindingDB / UniChem / ChEMBL / Nikkaji / PubChem / SureChEMBL / 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 1.03 |
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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-6p5m:
Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent