+Open data
-Basic information
Entry | Database: PDB chemical components / ID: R1H | ||
---|---|---|---|
Name | Name: Synonyms: ~{N}-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxy-phenyl]quinoline-3-carboxamide Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C38H38N4O6 / Number of atoms: 86 / Formula weight: 646.732 / Formal charge: 0 | ||||||
---|---|---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: R1H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7A6E | ||||||
History |
| ||||||
External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 1.03 |
---|
-InChIKey
InChI 1.03 |
---|