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Yorodumi- ChemComp-B97: (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: B97 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C21H18N4OS / Number of atoms: 45 / Formula weight: 374.459 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: B97 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3FYJ | ||||||
History |
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External links | BindingDB / UniChem / ChEMBL / ChemicalBook / DrugBank / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | ( |
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-PDB entries
Showing all 3 items
PDB-3fyj:
Crystal structure of an optimzied benzothiophene inhibitor bound to MAPKAP Kinase-2 (MK-2)
PDB-6t8x:
Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide
PDB-7nry:
Re-refinement of MAPKAP kinase-2/inhibitor complex 3fyj