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Yorodumi- ChemComp-V25: ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-ind... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: V25 |
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Name | Name: |
-Chemical information
Composition | Formula: C15H13Cl2N3O2 / Number of atoms: 35 / Formula weight: 338.189 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: V25 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2VAG | ||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / DrugBank / GtoPharmacology / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 4 items
PDB-2vag:
Crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor
PDB-2wu7:
Crystal Structure of the Human CLK3 in complex with V25
PDB-6qty:
Non-phosphorylated human CLK1 in complex with an indole inhibitor to 1.65 Ang
PDB-6tw2:
Re-refined crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor