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 |
---|---|---|---|---|---|
5K50 | Download | Experimental | e5k50A1 e5k50C1 e5k50E1 e5k50G1 e5k50I1 e5k50J1 | Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like | LigPlot |
5K4U | Download | Experimental | e5k4uA1 e5k4uC1 | Rossmann-like Rossmann-like | LigPlot |
5K4Q | Download | Experimental | e5k4qA1 e5k4qB1 e5k4qC1 e5k4qD1 e5k4qE1 e5k4qF1 | Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like | LigPlot |
5K4Y | Download | Experimental | e5k4yA1 e5k4yB1 e5k4yC1 e5k4yD1 e5k4yE1 e5k4yF1 | Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like | LigPlot |
5K4V | Download | Experimental | e5k4vA1 e5k4vC1 | Rossmann-like Rossmann-like | LigPlot |
5LC1 | Download | Experimental | e5lc1A1 e5lc1B1 e5lc1C1 e5lc1D1 e5lc1E1 e5lc1F1 | Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like | LigPlot |