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: 3WFJ
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Color Legend
Unassigned regionsLigand / hetero atomse3wfjA1e3wfjA2e3wfjB1e3wfjB2e3wfjC1e3wfjC2e3wfjD1e3wfjD2e3wfjE1e3wfjE2e3wfjF1e3wfjF2e3wfjG1e3wfjG2e3wfjH1e3wfjH2
ECOD domains from experimental PDB structures interacting with ligand DB14128
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjA1 | A:163-310 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjA2 | A:1-162 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjB1 | B:163-310 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjB2 | B:1-162 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjC1 | C:163-310 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjC2 | C:1-162 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjD1 | D:163-310 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjD2 | D:1-162 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjE1 | E:163-310 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjE2 | E:1-162 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjF1 | F:179-310 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjF2 | F:4-37,F:57-178 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjG1 | G:163-310 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjG2 | G:1-162 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjH1 | H:163-310 |
| E3USM3 | DB14128 | NAD | 3wfj | e3wfjH2 | H:3-36,H:73-162 |