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Yorodumi- ChemComp-ASS: (E)-N-methyl-N-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]pr... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: ASS |
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Name | Name: ( Synonyms: ASS234, bound form |
-Chemical information
Composition | Formula: C29H39N3O / Number of atoms: 72 / Formula weight: 445.639 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ASS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4CRT | ||||||||
History |
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External links | UniChem / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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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-PDB entries
Showing all 1 items
PDB-4crt:
Crystal structure of human monoamine oxidase B in complex with the multi-target inhibitor ASS234