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Yorodumi- ChemComp-TIT: N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCA... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: TIT |
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Name | Name: |
-Chemical information
Composition | Formula: C32H45BrN6O7 / Number of atoms: 91 / Formula weight: 705.64 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TIT / Model coordinates PDB-ID: 1W6H | ||||
History |
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External links | BindingDB / UniChem / Brenda / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / 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-1w6h:
Novel plasmepsin II-inhibitor complex