+Open data
-Basic information
Entry | Database: PDB chemical components / ID: QAP |
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Name | Name: |
-Chemical information
Composition | Formula: C17H16O4 / Number of atoms: 37 / Formula weight: 284.307 / Formal charge: 0 | ||||
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Others | 3v9q | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 4 items
PDB-4e9a:
Structure of Peptide Deformylase form Helicobacter Pylori in complex with inhibitor
PDB-4gq0:
Crystal structure of AKR1B10 complexed with NADP+ and Caffeic acid phenethyl ester
PDB-4qrf:
Crystal structure of V30M mutant human transthyretin complexed with caffeic acid phenethyl ester
PDB-5hnt:
Crystal Structure of AKR1C3 complexed with CAPE