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Yorodumi- ChemComp-1AQ: (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-ala... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 1AQ |
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Name | Name: ( |
-BIRD information
Type | Peptide-like / Antagonist |
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Downloads | Molecular definition / Chemical definition |
-Chemical information
Composition | Formula: C31H45F2N5O5 / Number of atoms: 88 / Formula weight: 605.716 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1AQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4HY0 / Subcomponent: MAA, 1Y2, 1Y3, 1XY | ||||||
History |
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External links | BindingDB / UniChem / ChEMBL / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | 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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