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Yorodumi- ChemComp-MB5: (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydr... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: MB5 |
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Name | Name: ( Synonyms: malbrancheamide B |
-Chemical information
Composition | Formula: C21H24ClN3O / Number of atoms: 50 / Formula weight: 369.888 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MB5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5WGW | ||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 4 items
PDB-5wgw:
Crystal Structure of Wild-type MalA', malbrancheamide B complex
PDB-5wgx:
Crystal Structure of MalA' H253A, malbrancheamide B complex
PDB-5wgy:
Crystal Structure of MalA' C112S/C128S, malbrancheamide B complex
PDB-6pvf:
Crystal structure of PhqK in complex with malbrancheamide B