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Yorodumi- ChemComp-PX3: 5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-eny... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: PX3 |
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Name | Name: |
-Chemical information
Composition | Formula: C28H28N2O6 / Number of atoms: 64 / Formula weight: 488.532 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: PX3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ZCM | ||||||
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 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-3zcm:
Small molecule inhibitors of the LEDGF site of HIV integrase identified by fragment screening and structure based design.