[English] 日本語
Yorodumi- ChemComp-57Z: 1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydr... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 57Z |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C21H23N3O3S / Number of atoms: 51 / Formula weight: 397.491 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 57Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5CZK | ||||
History |
| ||||
External links | UniChem / ChemSpider / BindingDB / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | |
---|
-PDB entries
Showing all 1 items
PDB-5czk:
Structure of E. coli beta-glucuronidase bound with a novel, potent inhibitor 1-((6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea