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Yorodumi- ChemComp-79C: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 79C |
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Name | Name: |
-Chemical information
Composition | Formula: C27H35F2N7O3 / Number of atoms: 74 / Formula weight: 543.609 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 79C / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5TA8 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / CompTox / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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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 2.0.6 | |
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-PDB entries
Showing all 6 items
PDB-5ta8:
Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor
PDB-5vbp:
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH RO3280
PDB-7bjy:
Crystal structure of the first bromodomain (BD1) of human BRDT bound to Ro3280
PDB-7l72:
Crystal structure of the second bromodomain (BD2) of human BRD3 bound to Ro3280
PDB-7l9j:
Crystal structure of the second bromodomain (BD2) of human BRD2 bound to Ro3280
PDB-7laj:
Crystal structure of the first bromodomain (BD1) of human BRD2 bound to Ro3280