+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 6SO |
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Name | Name: |
-Chemical information
Composition | Formula: C10H11ClN2 / Number of atoms: 24 / Formula weight: 194.661 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6SO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5KGG | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEMBL / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.5 |
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-PDB entries
Showing all 4 items
PDB-5kgg:
Crystal structure of PIM1 with inhibitor: 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine
PDB-7brw:
Bovine Pancreatic Trypsin with 5-chlorotryptamine (Room Temperature)
PDB-7bsa:
Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo)
PDB-7wb9:
Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Chlorotryptamine at Room Temperature