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Yorodumi- ChemComp-VEN: 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyr... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: VEN |
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Name | Name: Synonyms: 141754136; 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxopyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one |
-Chemical information
Composition | Formula: C27H29N5O4S2 / Number of atoms: 67 / Formula weight: 551.68 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: VEN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OIL | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / GtoPharmacology / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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-7oil:
mPI3Kd in complex with compound 58