Attributes
UniProt ID
Protein Name
Aldehyde dehydrogenase 1A1
Ligand Name
[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FDIVXUDDFSHSAE-MTKBYBFRSA-L
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CC(CC=C5)C(=O)N)O)O)O)O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5ABM
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Color Legend
Unassigned regionsLigand / hetero atomse5abmA1e5abmA2e5abmB1e5abmB2e5abmC1e5abmC2e5abmD1e5abmD2
ECOD domains from experimental PDB structures interacting with ligand TXE
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P51977 | n/a | TXE | 5abm | e5abmA1 | A:271-500 |
| P51977 | n/a | TXE | 5abm | e5abmA2 | A:7-270 |
| P51977 | n/a | TXE | 5abm | e5abmB1 | B:271-500 |
| P51977 | n/a | TXE | 5abm | e5abmB2 | B:7-270 |
| P51977 | n/a | TXE | 5abm | e5abmC1 | C:271-500 |
| P51977 | n/a | TXE | 5abm | e5abmC2 | C:7-270 |
| P51977 | n/a | TXE | 5abm | e5abmD1 | D:7-270 |
| P51977 | n/a | TXE | 5abm | e5abmD2 | D:271-500 |
| P51977 | n/a | TXE | 5ac1 | e5ac1A1 | A:271-500 |
| P51977 | n/a | TXE | 5ac1 | e5ac1A2 | A:7-270 |
| P51977 | n/a | TXE | 5ac1 | e5ac1B1 | B:271-500 |
| P51977 | n/a | TXE | 5ac1 | e5ac1B2 | B:7-270 |
| P51977 | n/a | TXE | 5ac1 | e5ac1C1 | C:271-500 |
| P51977 | n/a | TXE | 5ac1 | e5ac1C2 | C:7-270 |
| P51977 | n/a | TXE | 5ac1 | e5ac1D1 | D:271-500 |
| P51977 | n/a | TXE | 5ac1 | e5ac1D2 | D:7-270 |