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Yorodumi- ChemComp-S90: N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-N1-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S90 |
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Name | Name: |
-Chemical information
Composition | Formula: C20H27FN4 / Number of atoms: 52 / Formula weight: 342.454 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: S90 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4UGL | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / 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 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
OpenEye OEToolkits 1.7.6 |
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-PDB entries
Showing all 1 items
PDB-4ugl:
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-N1- cyclopropyl-N2-methylethane-1,2-diamine