PDB ligand accession: NAD
DrugBank: DB14128
PubChem: 5892;5288979;10897651;73415790;
ChEMBL:
InChI Key: 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: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: (5'->5')-dinucleotides
- Subclass: None
- Class: (5'->5')-dinucleotides
- Superclass: Nucleosides, nucleotides, and analogues
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 4ZVY | Download | Experimental | e4zvyB1 | ALDH-like | LigPlot |
| 6O4L | Download | Experimental | e6o4lA1 e6o4lA2 e6o4lB1 e6o4lB2 e6o4lC1 e6o4lC2 e6o4lD1 e6o4lD2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 4X0T | Download | Experimental | e4x0tA1 e4x0tA2 e4x0tB1 e4x0tB2 e4x0tC1 e4x0tC2 e4x0tD1 e4x0tD2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 6O4H | Download | Experimental | e6o4hA1 e6o4hA2 e6o4hB1 e6o4hB2 e6o4hC1 e6o4hC2 e6o4hD1 e6o4hD2 e6o4hE1 e6o4hE2 e6o4hF1 e6o4hF2 e6o4hG1 e6o4hG2 e6o4hH1 e6o4hH2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 6U2X | Download | Experimental | e6u2xA1 e6u2xA2 e6u2xB1 e6u2xC1 e6u2xD1 e6u2xE1 e6u2xE2 e6u2xF2 e6u2xG1 e6u2xG2 e6u2xH1 e6u2xH2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 6O4C | Download | Experimental | e6o4cA1 e6o4cA2 e6o4cB1 e6o4cB2 e6o4cC1 e6o4cC2 e6o4cD1 e6o4cD2 e6o4cE1 e6o4cE2 e6o4cF1 e6o4cF2 e6o4cG1 e6o4cG2 e6o4cH1 e6o4cH2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 6O4E | Download | Experimental | e6o4eA1 e6o4eA2 e6o4eB1 e6o4eB2 e6o4eC1 e6o4eC2 e6o4eD1 e6o4eD2 e6o4eE1 e6o4eE2 e6o4eF1 e6o4eF2 e6o4eG1 e6o4eG2 e6o4eH1 e6o4eH2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 4ZUK | Download | Experimental | e4zukA2 e4zukB2 e4zukC1 e4zukD2 e4zukE1 e4zukF1 e4zukG2 e4zukH2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 6V0Z | Download | Experimental | e6v0zA1 e6v0zA2 e6v0zB1 e6v0zB2 e6v0zC1 e6v0zC2 e6v0zD1 e6v0zD2 e6v0zE1 e6v0zE2 e6v0zF1 e6v0zF2 e6v0zG1 e6v0zG2 e6v0zH1 e6v0zH2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 6O4K | Download | Experimental | e6o4kA2 e6o4kB1 e6o4kC1 e6o4kC2 e6o4kD1 e6o4kD2 e6o4kE2 e6o4kF1 e6o4kF2 e6o4kG1 e6o4kG2 e6o4kH1 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 6O4B | Download | Experimental | e6o4bA1 e6o4bA2 e6o4bB1 e6o4bB2 e6o4bC1 e6o4bC2 e6o4bD1 e6o4bD2 e6o4bE1 e6o4bE2 e6o4bF1 e6o4bF2 e6o4bG1 e6o4bG2 e6o4bH1 e6o4bH2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |