[English] 日本語
Yorodumi- ChemComp-5BA: 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5BA |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C23H31BrN4O3 / Number of atoms: 62 / Formula weight: 491.421 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5BA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4I9Z | ||||
History |
| ||||
External links | UniChem / BindingDB / ChEMBL / PubChem / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
---|
-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
---|
-PDB entries
Showing all 1 items
PDB-4i9z:
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors