Attributes
UniProt ID
Protein Name
Probable flavin-dependent thymidylate synthase
Ligand Name
2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DKOJAMITDVVFPR-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CC2=C(C(=O)c3ccccc3C2=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4FZB
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Color Legend
Unassigned regionsLigand / hetero atomse4fzbA2e4fzbB2e4fzbC1e4fzbD2e4fzbE1e4fzbF1e4fzbG2e4fzbH2e4fzbI3e4fzbJ2e4fzbK2e4fzbL2e4fzbM2e4fzbN2e4fzbO2e4fzbP3
ECOD domains from experimental PDB structures interacting with ligand 0VJ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| O41156 | n/a | 0VJ | 4fzb | e4fzbA2 | A:0-94,A:120-215 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbB2 | B:0-94,B:123-215 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbC1 | C:-3-217 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbD2 | D:0-216 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbE1 | E:-4-201 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbF1 | F:-4-201 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbG2 | G:0-94,G:123-215 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbH2 | H:1-94,H:123-215 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbI3 | I:1-215 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbJ2 | J:1-92,J:123-216 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbK2 | K:1-215 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbL2 | L:1-215 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbM2 | M:0-216 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbN2 | N:1-92,N:123-216 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbO2 | O:1-215 |
| O41156 | n/a | 0VJ | 4fzb | e4fzbP3 | P:1-215 |