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Yorodumi- ChemComp-B94: (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acet... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: B94 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C26H30ClN5O9 / Number of atoms: 71 / Formula weight: 591.997 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: B94 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KJQ | ||||||
History |
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External links | UniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | 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
OpenEye OEToolkits 1.6.1 | ( |
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-PDB entries
Showing all 1 items
PDB-3kjq:
Caspase 8 with covalent inhibitor