[English] 日本語
Yorodumi- ChemComp-9U7: 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9U7 |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C25H30N6O2 / Number of atoms: 63 / Formula weight: 446.545 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9U7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5W0F | ||||
History |
| ||||
External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | 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 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.6 | |
---|
-PDB entries
Showing all 1 items
PDB-5w0f:
CREBBP Bromodomain in complex with Cpd3 ((S)-1-(3-(6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)