+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JBB |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C12H10O2S2 / Number of atoms: 26 / Formula weight: 250.337 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JBB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6QOE | ||||
History |
| ||||
External links | UniChem / ChemSpider / CompTox / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-PDB entries
Showing all 2 items
PDB-6qoe:
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 8 (3-[(2-thienylthio)methyl]benzoic acid)
PDB-6vsd:
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-((thiophen-2-ylthio)methyl)benzoic acid (fragment 13)