Attributes
UniProt ID
Protein Name
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand Name
2-amino-5-(phenylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
RURPYDOTPJEGPP-UHFFFAOYSA-N
SMILES
c1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)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 1UE
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q07422 | n/a | 1UE | 4ky4 | e4ky4A1 | A:285-610 |
| Q07422 | n/a | 1UE | 4ky4 | e4ky4B3 | B:285-610 |
| Q07422 | n/a | 1UE | 4ky4 | e4ky4C1 | C:285-610 |
| Q07422 | n/a | 1UE | 4ky4 | e4ky4D3 | D:285-610 |
| Q07422 | n/a | 1UE | 4ky4 | e4ky4E3 | E:285-610 |
| Q07422 | n/a | 1UE | 4ky4 | e4ky4F1 | F:285-610 |
| Q07422 | n/a | 1UE | 4ky4 | e4ky4G3 | G:285-610 |
| Q07422 | n/a | 1UE | 4ky4 | e4ky4H1 | H:285-610 |