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Yorodumi- ChemComp-IBI: N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: IBI | ||
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Name | Name: Synonyms: Volasertib Comment | anticancer, inhibitor*YM | |
-Chemical information
Composition | Formula: C34H50N8O3 / Number of atoms: 95 / Formula weight: 618.813 / Formal charge: 0 | ||||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IBI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3FC2 | ||||||||||
History |
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External links | BindingDB / UniChem / Brenda / ChEMBL / ChemicalBook / DrugBank / GtoPharmacology / Nikkaji / PubChem_TPharma / SureChEMBL / 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-3fc2:
PLK1 in complex with BI6727
PDB-5v67:
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH Volasertib
PDB-5vbr:
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH Volasertib
PDB-7lak:
Crystal structure of the first bromodomain (BD1) of human BRD2 bound to volasertib
PDB-7lej:
Crystal structure of the second bromodomain (BD2) of human BRDT bound to Volasertib
PDB-7n7n:
Crystal Structure of PI5P4KIIAlpha complex with Volasertib