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Yorodumi- ChemComp-G9I: 2-{2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: G9I |
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Name | Name: Synonyms: 1-[2-(4-Pyrrolidin-1-ylmethyl-phenyl)-ethyl]-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-one |
-Chemical information
Composition | Formula: C23H26N4O / Number of atoms: 54 / Formula weight: 374.479 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: G9I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KI7 | ||||||||
History |
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External links | UniChem / Nikkaji / PubChem / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-3ki7:
Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with inhibitor GP-I