[English] 日本語
Yorodumi- ChemComp-IWR: 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-metha... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: IWR |
---|---|
Name | Name: Synonyms: 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.0{2,6}]dec-8-en-4-yl]-N-(quinolin-8-yl)benzamide |
-Chemical information
Composition | Formula: C25H19N3O3 / Number of atoms: 50 / Formula weight: 409.437 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IWR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3UA9 | ||||
History |
| ||||
External links | BindingDB / UniChem / ChEBI / ChEMBL / 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 1.7.2 | |
---|
-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-PDB entries
Showing all 1 items
PDB-3ua9:
Crystal structure of human tankyrase 2 in complex with a selective inhibitor