[English] 日本語
Yorodumi- ChemComp-2R9: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-meth... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2R9 | ||
---|---|---|---|
Name | Name: Synonyms: Asunaprevir Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C35H46ClN5O9S / Number of atoms: 97 / Formula weight: 748.286 / Formal charge: 0 | ||||||||
---|---|---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2R9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4NWL | ||||||||
History |
| ||||||||
External links | BindingDB / UniChem / ChEBI / ChEMBL / DrugBank / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / 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 4 items
PDB-4nwl:
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
PDB-4wf8:
Crystal structure of NS3/4A protease in complex with Asunaprevir
PDB-4wh6:
Crystal structure of HCV NS3/4A protease variant R155K in complex with Asunaprevir
PDB-5eqs:
Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Asunaprevir