[English] 日本語
Yorodumi- ChemComp-2RS: 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2RS |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C26H31N7O2 / Number of atoms: 66 / Formula weight: 473.57 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2RS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4O44 | ||||
History |
| ||||
External links | UniChem / ChemSpider / ChEMBL / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
---|
-PDB entries
Showing all 1 items
PDB-4o44:
Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ529), a non-nucleoside inhibitor