Attributes
UniProt ID
Protein Name
2-dehydropantoate 2-reductase
Ligand Name
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
DrugBank ID
PDB Ligand Accession
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.
Structure: 5X20
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 atomse5x20A1e5x20A2e5x20B1e5x20B2e5x20C1e5x20C2e5x20D1e5x20D2e5x20E1e5x20E2e5x20F1
ECOD domains from experimental PDB structures interacting with ligand DB14128
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q3Y316 | DB14128 | NAD | 5x20 | e5x20A1 | A:163-312 |
| Q3Y316 | DB14128 | NAD | 5x20 | e5x20A2 | A:1-162 |
| Q3Y316 | DB14128 | NAD | 5x20 | e5x20B1 | B:163-311 |
| Q3Y316 | DB14128 | NAD | 5x20 | e5x20B2 | B:1-162 |
| Q3Y316 | DB14128 | NAD | 5x20 | e5x20C1 | C:1-162 |
| Q3Y316 | DB14128 | NAD | 5x20 | e5x20C2 | C:163-312 |
| Q3Y316 | DB14128 | NAD | 5x20 | e5x20D1 | D:163-311 |
| Q3Y316 | DB14128 | NAD | 5x20 | e5x20D2 | D:7-35,D:73-162 |
| Q3Y316 | DB14128 | NAD | 5x20 | e5x20E1 | E:1-162 |
| Q3Y316 | DB14128 | NAD | 5x20 | e5x20E2 | E:163-312 |