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Yorodumi- ChemComp-TJE: (2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)ph... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: TJE |
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Name | Name: ( Synonyms: Acetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH |
-Chemical information
Composition | Formula: C24H31N2O7P / Number of atoms: 65 / Formula weight: 490.486 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TJE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4UEF / Subcomponent: ACY, TYR, WN6 | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / 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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-PDB entries
Showing all 1 items
PDB-6i6z:
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH