+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 141 | ||
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Name | Name: Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C5H4N4O2 / Number of atoms: 15 / Formula weight: 152.111 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 141 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1JRP | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / 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 | OpenEye OEToolkits 1.7.6 | |
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-PDB entries
Showing all 4 items
PDB-1jrp:
Crystal Structure of Xanthine Dehydrogenase inhibited by alloxanthine from Rhodobacter capsulatus
PDB-3bdj:
Crystal Structure of Bovine Milk Xanthine Dehydrogenase with a Covalently Bound Oxipurinol Inhibitor
PDB-8j79:
Bovine Xanthine Oxidoreductase Crystallized with oxypurinol
PDB-8q6n:
Xanthin riboswitch in complex with oxypurinol