+Open data
-Basic information
Entry | Database: PDB chemical components / ID: SS9 |
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Name | Name: |
-Chemical information
Composition | Formula: C8H20N2S / Number of atoms: 31 / Formula weight: 176.323 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SS9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4ZUN | ||||
History |
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External links | UniChem / BindingDB / Brenda / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 4 items
PDB-4zun:
Crystal structure of acetylpolyamine amidohydrolase from Mycoplana ramosa in complex with a thiol inhibitor
PDB-6phr:
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentane-1-thiol
PDB-6uii:
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 5-[(3-aminopropyl)amino]pentane-1-thiol
PDB-6uij:
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with S-{5-[(3-aminopropyl)amino]pentyl} thioacetate