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Yorodumi- ChemComp-3EK: trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3EK |
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Name | Name: Synonyms: (1r,4r)-4-((3-(2((4-fluorobenzyl)carbamoyl)-6-methylpyridin-4-yl)-1h-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid |
-Chemical information
Composition | Formula: C24H26FN5O3 / Number of atoms: 59 / Formula weight: 451.493 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3EK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KEK | ||||||||
History |
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External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 11.02 | 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
ACDLabs 11.02 | OpenEye OEToolkits 1.6.1 | |
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-PDB entries
Showing all 1 items
PDB-3kek:
Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound