[English] 日本語
Yorodumi- ChemComp-UDO: (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)ph... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: UDO |
---|---|
Name | Name: ( |
-Chemical information
Composition | Formula: C24H21ClF3N3O / Number of atoms: 53 / Formula weight: 459.891 / Formal charge: 0 | ||||||||
---|---|---|---|---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: UDO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ZG2 | ||||||||
History |
| ||||||||
External links | UniChem / ChemSpider / BindingDB / ChEMBL / 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-3zg2:
Sterol 14 alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with the pyridine inhibitor (S)-2-(4-chlorophenyl)-2-(pyridin-3-yl)-1- (4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone (EPL-BS1246,UDO)