Attributes
UniProt ID
Protein Name
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand Name
Aminopterin
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
TVZGACDUOSZQKY-LBPRGKRZSA-N
SMILES
c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4KY4
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Color Legend
Unassigned regionsLigand / hetero atomse4ky4A1e4ky4A2e4ky4B2e4ky4B3e4ky4C1e4ky4C2e4ky4D2e4ky4D3e4ky4E2e4ky4E3e4ky4F1e4ky4F2e4ky4G2e4ky4G3e4ky4H1e4ky4H2
ECOD domains from experimental PDB structures interacting with ligand DB08878
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q07422 | DB08878 | 04J | 4ky4 | e4ky4A2 | A:3-41,A:74-193,A:226-242 |
| Q07422 | DB08878 | 04J | 4ky4 | e4ky4B2 | B:3-41,B:74-193,B:226-242 |
| Q07422 | DB08878 | 04J | 4ky4 | e4ky4C2 | C:3-41,C:74-193,C:226-242 |
| Q07422 | DB08878 | 04J | 4ky4 | e4ky4D2 | D:3-41,D:74-193,D:226-242 |
| Q07422 | DB08878 | 04J | 4ky4 | e4ky4E2 | E:3-41,E:74-193,E:226-242 |
| Q07422 | DB08878 | 04J | 4ky4 | e4ky4F2 | F:3-41,F:74-193,F:226-242 |
| Q07422 | DB08878 | 04J | 4ky4 | e4ky4G2 | G:3-41,G:74-193,G:226-242 |
| Q07422 | DB08878 | 04J | 4ky4 | e4ky4H2 | H:3-41,H:74-193,H:226-242 |