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 |
|---|---|---|---|---|---|
| 7RGM | Download | Experimental | e7rgmA1 e7rgmD1 e7rgmA1 e7rgmB2 e7rgmB2 e7rgmC2 e7rgmC2 e7rgmD1 e7rgmE2 e7rgmH1 e7rgmE2 e7rgmF1 e7rgmF1 e7rgmG1 e7rgmG1 e7rgmH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RER | Download | Experimental | e7rerA1 e7rerB1 e7rerA1 e7rerD1 e7rerD1 e7rerC1 e7rerC1 e7rerB1 e7rerE1 e7rerF1 e7rerE1 e7rerH1 e7rerH1 e7rerG1 e7rerG1 e7rerF1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RGL | Download | Experimental | e7rglA1 e7rglD1 e7rglA1 e7rglB1 e7rglB1 e7rglC2 e7rglC2 e7rglD1 e7rglE1 e7rglH1 e7rglE1 e7rglF2 e7rglF2 e7rglG1 e7rglG1 e7rglH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RFI | Download | Experimental | e7rfiA1 e7rfiB1 e7rfiB1 e7rfiC1 e7rfiC1 e7rfiD1 e7rfiA1 e7rfiD1 e7rfiE1 e7rfiF1 e7rfiF1 e7rfiG1 e7rfiG1 e7rfiH1 e7rfiE1 e7rfiH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RGI | Download | Experimental | e7rgiA1 e7rgiD1 e7rgiA1 e7rgiB1 e7rgiB1 e7rgiC1 e7rgiC1 e7rgiD1 e7rgiE1 e7rgiH1 e7rgiE1 e7rgiF1 e7rgiF1 e7rgiG1 e7rgiG1 e7rgiH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RGQ | Download | Experimental | e7rgqA1 e7rgqB1 e7rgqB1 e7rgqC2 e7rgqC2 e7rgqD1 e7rgqA1 e7rgqD1 e7rgqE2 e7rgqF1 e7rgqF1 e7rgqG1 e7rgqG1 e7rgqH1 e7rgqE2 e7rgqH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RES | Download | Experimental | e7resA2 e7resD2 e7resA2 e7resB1 e7resB1 e7resC1 e7resC1 e7resD2 e7resE1 e7resH2 e7resE1 e7resF1 e7resF1 e7resG1 e7resG1 e7resH2 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |