+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JH4 |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C5H7N3 / Number of atoms: 15 / Formula weight: 109.129 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JH4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QE4 | ||||
History |
| ||||
External links | UniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.6 | ~{ | |
---|
-PDB entries
Showing all 3 items
PDB-5qe4:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000514a
PDB-5qk2:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z54628578
PDB-5s3l:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z54628578