[English] 日本語
Yorodumi- ChemComp-B5Q: [2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-di... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: B5Q |
---|---|
Name | Name: [ |
-Chemical information
Composition | Formula: C25H23N5O / Number of atoms: 54 / Formula weight: 409.483 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: B5Q / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6EI5 | ||||
History |
| ||||
External links | UniChem / ChemSpider / PubChem / PubChem_TPharma / 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 |
---|
-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 | [ |
---|
-PDB entries
Showing all 1 items
PDB-6ei5:
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation