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Yorodumi- ChemComp-2CE: N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-ETHYL]-2-[2-(4-CHLORO-PHENYLSULF... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2CE |
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Name | Name: |
-Chemical information
Composition | Formula: C24H31ClN6O5S / Number of atoms: 68 / Formula weight: 551.058 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2CE / Model coordinates PDB-ID: 2BVS | ||||
History |
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External links | UniChem / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | [ | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | [ | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | ( | |
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-PDB entries
Showing all 1 items
PDB-2bvs:
Human thrombin complexed with fragment-based small molecules occupying the S1 pocket