[English] 日本語
Yorodumi- ChemComp-5JM: 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5JM |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C26H21ClN6O4 / Number of atoms: 58 / Formula weight: 516.936 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5JM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5E2O | ||||
History |
| ||||
External links | BindingDB / UniChem / Brenda / ChEMBL / 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 1.9.2 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | |
---|
-PDB entries
Showing all 1 items
PDB-5e2o:
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid