+Open data
-Basic information
Entry | Database: PDB chemical components / ID: RRC | ||
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Name | Name: Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C19H26N6O / Number of atoms: 52 / Formula weight: 354.449 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RRC / Model coordinates PDB-ID: 1UNL | ||||
History |
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External links | UniChem / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | (OpenEye OEToolkits 1.5.0 | ( | |
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-PDB entries
Showing all 6 items
PDB-1unl:
Structural mechanism for the inhibition of CD5-p25 from the roscovitine, aloisine and indirubin.
PDB-1ygk:
Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives
PDB-2a4l:
Human cyclin-dependent kinase 2 in complex with roscovitine
PDB-3ddq:
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine
PDB-8bu9:
Structure of DDB1 bound to roscovitine-engaged CDK12-cyclin K
PDB-8fp0:
Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine