DrugDomain logoDrugDomain

Attributes

UniProt ID
Q9L4P8
Protein Name
Betaine-aldehyde dehydrogenase
Ligand Name
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
DrugBank ID
DB14128
PDB Ligand Accession
NAD
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Mol*
Structure: 5DIB
Open File
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse5dibA1e5dibA2e5dibB1e5dibB2e5dibC1e5dibC2e5dibD1e5dibD2
ECOD domains from experimental PDB structures interacting with ligand DB14128
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q9L4P8DB14128NAD5dibe5dibA1A:258-496
Q9L4P8DB14128NAD5dibe5dibA2A:0-257
Q9L4P8DB14128NAD5dibe5dibB1B:258-496
Q9L4P8DB14128NAD5dibe5dibB2B:2-257
Q9L4P8DB14128NAD5dibe5dibC1C:258-496
Q9L4P8DB14128NAD5dibe5dibC2C:-20--19,C:1-257
Q9L4P8DB14128NAD5dibe5dibD1D:2-257
Q9L4P8DB14128NAD5dibe5dibD2D:258-496
Q9L4P8DB14128NAD5eyue5eyuA1A:6-257
Q9L4P8DB14128NAD5eyue5eyuA2A:258-496
Q9L4P8DB14128NAD5eyue5eyuB1B:6-257
Q9L4P8DB14128NAD5eyue5eyuB2B:258-496
Q9L4P8DB14128NAD5eyue5eyuC1C:258-496
Q9L4P8DB14128NAD5eyue5eyuC2C:6-257
Q9L4P8DB14128NAD5eyue5eyuD1D:6-257
Q9L4P8DB14128NAD5eyue5eyuD2D:258-496
Q9L4P8DB14128NAD5ez4e5ez4A1A:258-496
Q9L4P8DB14128NAD5ez4e5ez4A2A:1-257
Q9L4P8DB14128NAD5ez4e5ez4B1B:2-257
Q9L4P8DB14128NAD5ez4e5ez4B2B:258-496
Q9L4P8DB14128NAD5ez4e5ez4C1C:258-496
Q9L4P8DB14128NAD5ez4e5ez4C2C:-1-257
Q9L4P8DB14128NAD5ez4e5ez4D1D:4-257
Q9L4P8DB14128NAD5ez4e5ez4D2D:258-496