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Yorodumi- ChemComp-S49: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(pheny... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S49 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C29H33N5O4S / Number of atoms: 72 / Formula weight: 547.668 / Formal charge: 0 | ||||||||||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: S49 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4UFD / Subcomponent: PMS, PRO, DPN, 00S | ||||||||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEMBL / PubChem / PubChem_TPharma / 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-4ufd:
Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)- 3-phenyl-propanoyl)pyrrolidin-2-yl)-1-oxo-ethyl)amino)methyl) benzamidine