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Yorodumi- ChemComp-B8S: N-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-b... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: B8S |
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Name | Name: |
-Chemical information
Composition | Formula: C34H33Cl2FN6O3 / Number of atoms: 79 / Formula weight: 663.569 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: B8S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QBW | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / PubChem_TPharma / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | 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
ACDLabs 12.01 | OpenEye OEToolkits 2.0.6 | ~{ | |
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-PDB entries
Showing all 1 items
PDB-5qbw:
Crystal structure of human Cathepsin-S with bound ligand