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Yorodumi- ChemComp-L5S: 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6)... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: L5S |
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Name | Name: |
-Chemical information
Composition | Formula: C15H12N4S / Number of atoms: 32 / Formula weight: 280.348 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: L5S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4C67 | ||||||
History |
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External links | UniChem / ChemSpider / PubChem / PubChem_TPharma / SureChEMBL / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | 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 |
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-PDB entries
Showing all 1 items
PDB-4c67:
Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains