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 |
---|---|---|---|---|---|
1JKF | Download | Experimental | e1jkfA1 e1jkfA2 e1jkfB1 e1jkfB2 | Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like | LigPlot |
1P1I | Download | Experimental | e1p1iA1 e1p1iA2 e1p1iB3 e1p1iB4 | FwdE/GAPDH domain-like Rossmann-like Rossmann-like FwdE/GAPDH domain-like | LigPlot |
1P1H | Download | Experimental | e1p1hA1 e1p1hA2 e1p1hB3 e1p1hB4 e1p1hC1 e1p1hC2 e1p1hD3 e1p1hD4 | FwdE/GAPDH domain-like Rossmann-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like Rossmann-like FwdE/GAPDH domain-like | LigPlot |
1LA2 | Download | Experimental | e1la2A1 e1la2A2 e1la2B1 e1la2B2 e1la2C1 e1la2C2 e1la2D1 e1la2D2 | FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like | LigPlot |