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Yorodumi- ChemComp-I5K: 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: I5K |
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Name | Name: |
-Chemical information
Composition | Formula: C16H18N2O / Number of atoms: 37 / Formula weight: 254.327 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: I5K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7R5B | ||||||
History |
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External links | UniChem / ChemSpider / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-7r5b:
Crystal structure of BRD4(1) in complex with the inhibitor MPM2