[English] 日本語
Yorodumi- ChemComp-IJK: (8S)-6,7-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-tri... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: IJK |
---|---|
Name | Name: ( |
-Chemical information
Composition | Formula: C19H29N9 / Number of atoms: 57 / Formula weight: 383.494 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: IJK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SF6 | ||||
History |
| ||||
External links | UniChem / ChemSpider / BindingDB / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | 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 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 2.0.7 | |
---|
-PDB entries
Showing all 1 items
PDB-5sf6:
Crystal Structure of human phosphodiesterase 10 in complex with 6,7-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-N-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine