[English] 日本語
Yorodumi- ChemComp-8M8: 3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 8M8 |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C9H8N4S / Number of atoms: 22 / Formula weight: 204.252 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8M8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5N4N | ||||
History |
| ||||
External links | UniChem / ChemSpider / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
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
OpenEye OEToolkits 2.0.6 |
---|
-PDB entries
Showing all 1 items
PDB-5n4n:
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 3,4-dimethyl-5-(1H-1,2,4-triazol-3-yl)thiophene-2-carbonitrile