DrugDomain logoDrugDomain

Attributes

UniProt ID
P17202
Protein Name
Aminoaldehyde dehydrogenase BADH
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: 4A0M
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 atomse4a0mA1e4a0mA2e4a0mB1e4a0mB2e4a0mC1e4a0mC2e4a0mD1e4a0mD2
ECOD domains from experimental PDB structures interacting with ligand DB14128
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P17202DB14128NAD4a0me4a0mA1A:260-496
P17202DB14128NAD4a0me4a0mA2A:3-259
P17202DB14128NAD4a0me4a0mB1B:260-496
P17202DB14128NAD4a0me4a0mB2B:3-259
P17202DB14128NAD4a0me4a0mC1C:260-496
P17202DB14128NAD4a0me4a0mC2C:3-259
P17202DB14128NAD4a0me4a0mD1D:3-259
P17202DB14128NAD4a0me4a0mD2D:260-496
P17202DB14128NAD4v37e4v37A1A:3-259
P17202DB14128NAD4v37e4v37A2A:260-497
P17202DB14128NAD4v37e4v37B1B:260-497
P17202DB14128NAD4v37e4v37B2B:4-259
P17202DB14128NAD4v37e4v37C1C:260-497
P17202DB14128NAD4v37e4v37C2C:3-259
P17202DB14128NAD4v37e4v37D1D:4-259
P17202DB14128NAD4v37e4v37D2D:260-496