Non-natural sidechain SwissSidechain - CTE
3D view
| Name | 7-chloro-tryptophan |
| Molecular Weight [g/mol] | 238.67 |
| logP | 0.23 (predicted) |
| Sidechain logP | 3.04 (predicted) |
| Volume [Å3 ] | 246.42 |
| Sidechain Volume [Å3 ] | 160.76 |
| pKa | 2.15 / 9.4 (predicted) |
| SMILES | [NH3][C@H]([C](=O)=O)Cc1c[nH]c2c1cccc2Cl |
| D-amino acid code | DCTE ;(PDB: DTE) |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | PDB | Ligand |
| PubChem | |
| CAS number | L: 73945-46-7 | D: 75102-74-8 |
Download:
| Files | L-amino acid | D-amino acid | |
|---|---|---|---|
| PDB |
|
|
|
| MOL2 | |
|
|
| 2D structures (PNG) | |
 |
|
| backbone-dependent rotamers | |
|
|
| backbone-independent rotamers | |
|
|
| Gromacs topology file | |
|
|
| CHARMM topology file | |
|