Attributes
UniProt ID
Protein Name
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand Name
1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QMNFFXRFOJIOKZ-UHFFFAOYSA-N
SMILES
CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3IRM
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 atomse3irmA1e3irmA2e3irmB1e3irmB2e3irmC2e3irmC3e3irmD2e3irmD3
ECOD domains from experimental PDB structures interacting with ligand DB14763
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q27793 | DB14763 | 1CY | 3irm | e3irmA2 | A:1-209 |
| Q27793 | DB14763 | 1CY | 3irm | e3irmB2 | B:3-209 |
| Q27793 | DB14763 | 1CY | 3irm | e3irmC3 | C:2-209 |
| Q27793 | DB14763 | 1CY | 3irm | e3irmD3 | D:3-209 |
| Q27793 | DB14763 | 1CY | 3irn | e3irnA2 | A:1-209 |
| Q27793 | DB14763 | 1CY | 3irn | e3irnB2 | B:3-209 |
| Q27793 | DB14763 | 1CY | 3irn | e3irnC3 | C:2-209 |
| Q27793 | DB14763 | 1CY | 3irn | e3irnD2 | D:3-209 |