[English] 日本語
Yorodumi- ChemComp-4UQ: 6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morp... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4UQ |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C33H40N6O4 / Number of atoms: 83 / Formula weight: 584.708 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4UQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5BPY | ||||
History |
| ||||
External links | UniChem / ChemSpider / ChEMBL / PubChem / PubChem_TPharma / 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-5bpy:
Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with BMS-824171 AKA 6-[(3R)-3-(4-tert-bu tylbenzamido)piperidin-1-yl]-2-{[4-(morpholine-4-carbonyl) phenyl]amino}pyridine-3-carboxamide