+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JKE | ||
---|---|---|---|
Name | Name: Wikipedia | Wikipedia - Thiosalicylic acid: Thiosalicylic acid is an organosulfur compound containing carboxyl and sulfhydryl functional groups. Its molecular formula is ortho-C6H4(−SH)(−C(=O)−OH)... | |
-Chemical information
Composition | Formula: C7H6O2S / Number of atoms: 16 / Formula weight: 154.186 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JKE / Ideal coordinates details: Corina | ||||
History |
| ||||
External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
---|
-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.0 | |
---|
-PDB entries
Showing all 4 items
PDB-3lk1:
X-ray structure of bovine SC0322,Ca(2+)-S100B
PDB-4e4a:
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
PDB-6g9x:
Crystal structure of a MFS transporter at 2.54 Angstroem resolution
PDB-6k4t:
Crystal structure of SMB-1 metallo-beta-lactamase in a complex with TSA