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Yorodumi- ChemComp-YDJ: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carb... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: YDJ |
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Name | Name: |
-Chemical information
Composition | Formula: C17H19FN4O2S / Number of atoms: 44 / Formula weight: 362.422 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: YDJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2YDJ | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / DrugBank / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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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 1.7.0 | |
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-PDB entries
Showing all 4 items
PDB-2ydj:
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
PDB-4w9w:
Crystal Structure of BMP-2-inducible kinase in complex with small molecule AZD-7762
PDB-5wil:
JAK2 Pseudokinase in complex with AZD7762
PDB-7cqe:
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with AZD-7762