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Yorodumi- ChemComp-046: 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 046 |
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Name | Name: |
-Chemical information
Composition | Formula: C28H30F3N7O3 / Number of atoms: 71 / Formula weight: 569.578 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 46 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3UGC | ||||||
History |
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External links | UniChem / Brenda / ChEMBL / ChemicalBook / GtoPharmacology / PubChem / SureChEMBL / ZINC / ChemSpider / 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-3ugc:
Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594
PDB-4o2z:
Crystal Structure of MPK3 from Leishmania donovani, LdBPK_100540 in the presence of NVP-BBT594
PDB-7rn6:
High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to type-II inhibitor BBT594