Attributes
UniProt ID
Protein Name
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand Name
2-Amino-5-(1-naphthylsulfanyl)-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
NSASWBYEPOLHJW-UHFFFAOYSA-N
SMILES
c1ccc2c(c1)cccc2Sc3cccc4c3c5c([nH]4)N=C(NC5=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4KYA
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Color Legend
Unassigned regionsLigand / hetero atomse4kyaA2e4kyaA3e4kyaB1e4kyaB2e4kyaC1e4kyaC2e4kyaD1e4kyaD2e4kyaE1e4kyaE2e4kyaF1e4kyaF2e4kyaG2e4kyaG3e4kyaH2e4kyaH3
ECOD domains from experimental PDB structures interacting with ligand 1UG
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q07422 | n/a | 1UG | 4kya | e4kyaA3 | A:285-610 |
| Q07422 | n/a | 1UG | 4kya | e4kyaB1 | B:285-610 |
| Q07422 | n/a | 1UG | 4kya | e4kyaC1 | C:285-610 |
| Q07422 | n/a | 1UG | 4kya | e4kyaD1 | D:285-610 |
| Q07422 | n/a | 1UG | 4kya | e4kyaE1 | E:285-610 |
| Q07422 | n/a | 1UG | 4kya | e4kyaF1 | F:285-610 |
| Q07422 | n/a | 1UG | 4kya | e4kyaG3 | G:285-610 |
| Q07422 | n/a | 1UG | 4kya | e4kyaH2 | H:285-610 |