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Yorodumi- ChemComp-0DS: N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leuc... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0DS |
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Name | Name: Synonyms: ICI U24522 |
-BIRD information
Type | Peptide-like / Inhibitor |
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Downloads | Molecular definition / Chemical definition |
-Chemical information
Composition | Formula: C23H36N4O5 / Number of atoms: 68 / Formula weight: 448.556 / Formal charge: 0 | ||||||||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: 0DS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1UMT / Model coordinates details: not provided / Subcomponent: 2HM, LEU, PHE, NH2 | ||||||||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | ( | |
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-PDB entries
Showing all 2 items
PDB-1ums:
STROMELYSIN-1 CATALYTIC DOMAIN WITH HYDROPHOBIC INHIBITOR BOUND, PH 7.0, 32OC, 20 MM CACL2, 15% ACETONITRILE; NMR ENSEMBLE OF 20 STRUCTURES
PDB-1umt:
Stromelysin-1 catalytic domain with hydrophobic inhibitor bound, ph 7.0, 32oc, 20 mm cacl2, 15% acetonitrile; nmr average of 20 structures minimized with restraints