+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 463 |
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Name | Name: |
-Chemical information
Composition | Formula: C9H12N2O / Number of atoms: 24 / Formula weight: 164.204 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 463 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4Y3G | ||||
History |
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External links | UniChem / ChemSpider / ChemicalBook / CompTox / PubChem / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 4 items
PDB-4y3g:
Endothiapepsin in complex with fragment 285
PDB-5n3f:
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-[3-(aminomethyl)phenyl]acetamide
PDB-6sas:
Human Carbonic Anhydrase II in complex with fragment.
PDB-8c30:
Crystal structure of 14-3-3 in complex with PyrinpS242 and a protein/peptide interface fragment