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Yorodumi- ChemComp-974: 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 974 |
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Name | Name: Synonyms: ZK-806974 |
-Chemical information
Composition | Formula: C28H27F2N6O5 / Number of atoms: 68 / Formula weight: 565.548 / Formal charge: 1 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 974 / Model coordinates PDB-ID: 1QB1 | ||||||||
History |
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External links | UniChem / PubChem / 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-1qb1:
Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)