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 |
---|---|---|---|---|---|
8PVF | Download | Experimental | e8pvfA1 e8pvfA2 | Rossmann-like FwdE/GAPDH domain-like | LigPlot |
1VSV | Download | Experimental | e1vsvA1 e1vsvA2 e1vsvD1 e1vsvB1 e1vsvB2 e1vsvC1 e1vsvB1 e1vsvC1 e1vsvC2 e1vsvA1 e1vsvA2 e1vsvD1 e1vsvD2 | FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like | LigPlot |
3CIF | Download | Experimental | e3cifA1 e3cifA2 e3cifD1 e3cifB1 e3cifB2 e3cifC1 e3cifB1 e3cifC1 e3cifC2 e3cifA1 e3cifA2 e3cifD1 e3cifD2 | FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like | LigPlot |