[English] 日本語
Yorodumi- ChemComp-0Q5: 4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dih... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0Q5 |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C36H44N4O5SSi / Number of atoms: 91 / Formula weight: 672.909 / Formal charge: 0 | ||
---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0Q5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4EHR | ||
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-4ehr:
Crystal structure of Bcl-Xl complex with 4-(5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2(1h)-isoquinolinylcarbonyl)-n-((2-(trimethylsilyl)ethyl)sulfonyl)benzamide