[English] 日本語
Yorodumi- ChemComp-GMW: (9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazi... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: GMW |
---|---|
Name | Name: ( |
-Chemical information
Composition | Formula: C37H37FN6O5 / Number of atoms: 86 / Formula weight: 664.725 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GMW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6HRT | ||||
History |
| ||||
External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-PDB entries
Showing all 1 items
PDB-6hrt:
CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 12-(6-tert-butyl-8-fluoro-1-oxo-phthalazin-2-yl)-9-hydroxy-6-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,11,13-pentaen-5-one