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Yorodumi- ChemComp-8M1: N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 8M1 |
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Name | Name: |
-Chemical information
Composition | Formula: C26H28N6O / Number of atoms: 61 / Formula weight: 440.54 / Formal charge: 0 | ||||
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Others | 5us0 | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / 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 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 1 items
PDB-6ckx:
Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide