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Yorodumi- ChemComp-J1A: 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: J1A |
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Name | Name: |
-Chemical information
Composition | Formula: C24H32N12O4S / Number of atoms: 73 / Formula weight: 584.654 / Formal charge: 0 | ||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: J1A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3UD5 | ||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / 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 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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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 1.7.2 | |
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-PDB entries
Showing all 1 items
PDB-3ud5:
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1A