Attributes
UniProt ID
Protein Name
GTPase KRas
Ligand Name
(3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LWNXLGGZVHNJBW-UWXQCODUSA-N
SMILES
c1ccc2c(c1)c(c([nH]2)CNCCCCCCNCc3c(c4ccccc4[nH]3)C5c6cc(ccc6C(=O)N5)O)C7c8cc(ccc8C(=O)N7)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 7ACA
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse7acaA1e7acaB1e7acaC1e7acaD1
ECOD domains from experimental PDB structures interacting with ligand R6W
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P01116 | n/a | R6W | 7aca | e7acaA1 | A:1-167 |
| P01116 | n/a | R6W | 7aca | e7acaB1 | B:1-167 |
| P01116 | n/a | R6W | 7aca | e7acaC1 | C:1-167 |
| P01116 | n/a | R6W | 7aca | e7acaD1 | D:1-167 |
| P01116 | n/a | R6W | 7acf | e7acfA1 | A:0-168 |
| P01116 | n/a | R6W | 7acf | e7acfB1 | B:1-167 |
| P01116 | n/a | R6W | 7acf | e7acfC1 | C:1-167 |
| P01116 | n/a | R6W | 7acf | e7acfD1 | D:1-167 |
| P01116 | n/a | R6W | 7ach | e7achA1 | A:1-167 |
| P01116 | n/a | R6W | 7ach | e7achB1 | B:1-167 |
| P01116 | n/a | R6W | 7acq | e7acqA1 | A:1-167 |
| P01116 | n/a | R6W | 7acq | e7acqB1 | B:1-167 |
| P01116 | n/a | R6W | 7acq | e7acqC1 | C:1-167 |