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Yorodumi- ChemComp-RB7: N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: RB7 |
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Name | Name: |
-Chemical information
Composition | Formula: C11H16BrNO2S / Number of atoms: 32 / Formula weight: 306.219 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RB7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RC4 | ||||||
History |
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External links | UniChem / ChemSpider / PubChem / 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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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.6 | ~{ | |
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-PDB entries
Showing all 4 items
PDB-5r24:
PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry F04, DMSO-free
PDB-5rc4:
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F04a
PDB-8cfo:
Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment F04
PDB-8ohf:
PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F04