[English] 日本語
Yorodumi- ChemComp-57E: 1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 57E |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C19H21N3O4S / Number of atoms: 48 / Formula weight: 387.453 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 57E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5D3P | ||||
History |
| ||||
External links | UniChem / ChemSpider / 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-5d3p:
First bromodomain of BRD4 bound to inhibitor XD41