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Yorodumi- ChemComp-C7T: (3~{S},14~{E})-8-(azetidin-3-yl)-19-chloranyl-~{N}-(1-cyanocyclop... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: C7T |
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Name | Name: ( |
-Chemical information
Composition | Formula: C27H27ClN4O4 / Number of atoms: 63 / Formula weight: 506.981 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: C7T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6F06 | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 | ( |
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-PDB entries
Showing all 1 items
PDB-6f06:
CATHEPSIN L IN COMPLEX WITH (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide