+Open data
-Basic information
Entry | Database: PDB chemical components / ID: A5B | ||
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Name | Name: Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C27H20ClFN4O4 / Number of atoms: 57 / Formula weight: 518.924 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: A5B / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5IA0 | ||||
History |
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External links | UniChem / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / 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 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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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 2.0.4 | |
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-PDB entries
Showing all 1 items
PDB-5ia0:
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237)