[English] 日本語
Yorodumi- ChemComp-C0I: (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: C0I |
---|---|
Name | Name: ( |
-Chemical information
Composition | Formula: C40H46N6O2 / Number of atoms: 94 / Formula weight: 642.832 / Formal charge: 0 | ||||||
---|---|---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: C0I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7QHD | ||||||
History |
| ||||||
External links | UniChem / ChemSpider / 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 1.06 |
---|
-InChIKey
InChI 1.06 |
---|
-PDB entries
Showing all 1 items
PDB-7qhd:
Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide