[English] 日本語
Yorodumi- ChemComp-K53: (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: K53 |
---|---|
Name | Name: ( Synonyms: (5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(2-hydroxyp |
-Chemical information
Composition | Formula: C31H35N3O9S / Number of atoms: 79 / Formula weight: 625.689 / Formal charge: 0 | ||||||||
---|---|---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: K53 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3MXD | ||||||||
History |
| ||||||||
External links | UniChem / ChemSpider / BindingDB / Brenda / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / 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-3mxd:
Crystal structure of HIV-1 protease inhibitor KC53 in complex with wild-type protease