[English] 日本語
Yorodumi- ChemComp-NK8: 4-({(3S,4S)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: NK8 |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C27H28F3N5O4S / Number of atoms: 68 / Formula weight: 575.603 / Formal charge: 0 | ||||||
---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NK8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QRS | ||||||
History |
| ||||||
External links | UniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
---|
-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.0 | |
---|
-PDB entries
Showing all 1 items
PDB-3qrs:
HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor