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 |
|---|---|---|---|---|---|
| 4OE2 | Download | Experimental | e4oe2A1 e4oe2A2 e4oe2B1 e4oe2B2 e4oe2C1 e4oe2C2 e4oe2D1 e4oe2D2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 4I2R | Download | Experimental | e4i2rA1 e4i2rA2 e4i2rB1 e4i2rB2 e4i2rC1 e4i2rC2 e4i2rD1 e4i2rD2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 5KLO | Download | Experimental | e5kloA1 e5kloA2 e5kloB1 e5kloB2 e5kloC1 e5kloC2 e5kloD1 e5kloD2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 4I1W | Download | Experimental | e4i1wA1 e4i1wA2 e4i1wB1 e4i1wB2 e4i1wC1 e4i1wC2 e4i1wD1 e4i1wD2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 5KLK | Download | Experimental | e5klkA1 e5klkA2 e5klkB1 e5klkB2 e5klkD1 e5klkD2 e5klkC1 e5klkC2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 4I25 | Download | Experimental | e4i25A1 e4i25A2 e4i25B1 e4i25B2 e4i25C1 e4i25C2 e4i25D1 e4i25D2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 5KLN | Download | Experimental | e5klnA1 e5klnA2 e5klnD1 e5klnD2 e5klnB1 e5klnB2 e5klnC1 e5klnC2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 4NPI | Download | Experimental | e4npiA1 e4npiA2 e4npiB1 e4npiB2 e4npiC1 e4npiC2 e4npiD1 e4npiD2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 4OU2 | Download | Experimental | e4ou2A1 e4ou2A2 e4ou2B1 e4ou2B2 e4ou2C1 e4ou2C2 e4ou2D1 e4ou2D2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 5KJ5 | Download | Experimental | e5kj5A1 e5kj5A2 e5kj5D1 e5kj5D2 e5kj5B1 e5kj5B2 e5kj5C1 e5kj5C2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 4OUB | Download | Experimental | e4oubA1 e4oubA2 e4oubB1 e4oubB2 e4oubC1 e4oubC2 e4oubD1 e4oubD2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |
| 5KLM | Download | Experimental | e5klmA1 e5klmA2 e5klmB1 e5klmB2 e5klmC1 e5klmC2 e5klmD1 e5klmD2 | ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like | LigPlot |