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Yorodumi- ChemComp-3I6: 4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN-2-YL)AMINO)BENZENESU... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3I6 |
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Name | Name: |
-Chemical information
Composition | Formula: C13H16BrN5O3S / Number of atoms: 39 / Formula weight: 402.267 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 3I6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BGH | ||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / 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 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-4bgh:
Crystal Structure of CDK2 in complex with pan-CDK Inhibitor