+Open data
-Basic information
Entry | Database: PDB chemical components / ID: I4B | ||
---|---|---|---|
Name | Name: Wikipedia | Wikipedia - Isobutylbenzene: Isobutylbenzene is a chemical compound with the molecular formula C10H14. It is used in the industrial manufacture of ibuprofen.
| Isobutylbenzene is a colorless flammable liquid that is a respiratory irritant... |
-Chemical information
Composition | Formula: C10H14 / Number of atoms: 24 / Formula weight: 134.218 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: I4B / Model coordinates PDB-ID: 184L | ||||
History |
| ||||
External links | UniChem / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
---|
-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 10.04 | (OpenEye OEToolkits 1.5.0 | |
---|
-PDB entries
Showing all 1 items
PDB-184l:
SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY