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Yorodumi- ChemComp-B87: 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piper... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: B87 |
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Name | Name: |
-Chemical information
Composition | Formula: C22H25N5OS / Number of atoms: 54 / Formula weight: 407.532 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: B87 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3IPY | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEMBL / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 11.02 | 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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-SYSTEMATIC NAME
ACDLabs 11.02 | OpenEye OEToolkits 1.6.1 | |
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-PDB entries
Showing all 1 items
PDB-3ipy:
X-Ray structure of Human Deoxycytidine Kinase in complex with an inhibitor