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Yorodumi- ChemComp-0OE: 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0OE |
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Name | Name: |
-Chemical information
Composition | Formula: C29H23ClN6O2 / Number of atoms: 61 / Formula weight: 522.985 / Formal charge: 0 | ||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0OE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4E91 | ||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | 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
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
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-PDB entries
Showing all 3 items
PDB-4e91:
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BD3
PDB-4e92:
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BM4
PDB-4j93:
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BI-1