[English] 日本語
Yorodumi- ChemComp-U86: 3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzo... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: U86 |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C20H20N4O2 / Number of atoms: 46 / Formula weight: 348.398 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: U86 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8JFB | ||||
History |
| ||||
External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-InChI
InChI 1.06 |
---|
-InChIKey
InChI 1.06 |
---|
-PDB entries
Showing all 1 items
PDB-8jfb:
V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 4 (B21588), NADPH and dUMP