+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2XO |
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Name | Name: |
-Chemical information
Composition | Formula: C8H8N2S / Number of atoms: 19 / Formula weight: 164.228 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2XO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4PZZ | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / 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 3 items
PDB-4pzz:
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
PDB-7u8h:
Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit
PDB-8afd:
CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a