DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand Name
5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GUZBZPCNAJDYMO-UHFFFAOYSA-N
SMILES
COc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 6AOH
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 atomse6aohA1e6aohA2e6aohB1e6aohB2
ECOD domains from experimental PDB structures interacting with ligand BOD
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q07422n/aBOD6aohe6aohA2A:3-252
Q07422n/aBOD6aohe6aohB2B:4-252
Q07422n/aBOD6n1te6n1tA2A:3-252
Q07422n/aBOD6n1te6n1tB1B:4-252