[English] 日本語
Yorodumi- ChemComp-KIE: N-ethyl-6-[(4-fluorophenyl)sulfanyl]-N-methyl-7H-purin-2-amine -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: KIE |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C14H14FN5S / Number of atoms: 35 / Formula weight: 303.358 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: KIE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SKQ | ||||
History |
| ||||
External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | 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 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | ~{ | |
---|
-PDB entries
Showing all 1 items
PDB-5skq:
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(nc3c(c1Sc2ccc(F)cc2)nc[nH]3)N(CC)C, micromolar IC50=0.341