[English] 日本語
Yorodumi- ChemComp-9S3: 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)ph... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9S3 |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C30H35N3O / Number of atoms: 69 / Formula weight: 453.618 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 9S3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4UYH | ||||
History |
| ||||
External links | UniChem / BindingDB / ChEMBL / PubChem / 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 2 items
PDB-4uyh:
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-((2R,4S)-2-methyl-4-(phenylamino)-6-(4-(piperidin-1-ylmethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone
PDB-5acy:
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-(2R,4S)-2-methyl-4-(phenylamino)-6-4-(piperidin-1-ylmethyl)phenyl-1,2,3,4- tetrahydroquinolin-1-yl-ethan-1-one