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Yorodumi- ChemComp-2XA: (2R)-2-AMINO-3-[(4-CHLOROPHENYL)-DIPHENYL-METHYL]SULFANYL-PROPANO... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2XA |
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Name | Name: ( |
-Chemical information
Composition | Formula: C22H20ClNO2S / Number of atoms: 47 / Formula weight: 397.918 / Formal charge: 0 | ||||||
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Others | Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: C / Three letter code: 2XA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2XAE / Parent comp.: CYS | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 1.6.1 | ( |
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-PDB entries
Showing all 1 items
PDB-2xae:
Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((S)-2-methyl-1,1-diphenylbutylthio)propanoic acid