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Yorodumi- ChemComp-01T: [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 01T |
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Name | Name: [ Synonyms: TAK-100 |
-Chemical information
Composition | Formula: C22H30N2O2 / Number of atoms: 56 / Formula weight: 354.486 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 01T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3O95 | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEMBL / 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 1 items
PDB-3o95:
Crystal Structure of Human DPP4 Bound to TAK-100