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Yorodumi- ChemComp-5M9: 6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-t... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5M9 |
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Name | Name: |
-Chemical information
Composition | Formula: C17H22ClN7 / Number of atoms: 47 / Formula weight: 359.856 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5M9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5EDI | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.4 |
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-PDB entries
Showing all 1 items
PDB-5edi:
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(c(n1nc(nc1c(c2)C)CCc3nc(nn3C)N4CCCC4)C)Cl, micromolar IC50=0.000279