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Yorodumi- ChemComp-0QK: 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-y... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0QK |
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Name | Name: |
-Chemical information
Composition | Formula: C28H41N7O4 / Number of atoms: 80 / Formula weight: 539.67 / Formal charge: 0 | ||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0QK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4EKI | ||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / GtoPharmacology / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 4 items
PDB-4eki:
Crystal Structure of DOT1L in complex with EPZ004777
PDB-4er3:
Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777
PDB-4er5:
Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777
PDB-7rfm:
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor EPZ004777