PDB ligand accession: NAP
DrugBank: DB03461
PubChem: 5885;57525501;
ChEMBL:
InChI Key: XJLXINKUBYWONI-NNYOXOHSSA-N
SMILES: c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)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 |
|---|---|---|---|---|---|
| 4JTC | Download | Experimental | e4jtcA1 e4jtcG1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7SIZ | Download | Experimental | e7sizA1 e7sizC1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 2R9R | Download | Experimental | e2r9rA1 e2r9rG1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7SIT | Download | Experimental | e7sitA1 e7sitC1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 4JTA | Download | Experimental | e4jtaA1 e4jtaP1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 2A79 | Download | Experimental | e2a79A1 | TIM beta/alpha-barrel | LigPlot |
| 6EBK | Download | Experimental | e6ebkA1 e6ebkC1 e6ebkE1 e6ebkG1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 5WIE | Download | Experimental | e5wieA1 e5wieG1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 3LNM | Download | Experimental | e3lnmA1 e3lnmC1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 4JTD | Download | Experimental | e4jtdA1 e4jtdG1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 6EBL | Download | Experimental | e6eblA1 e6eblC1 e6eblE1 e6eblG1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 3LUT | Download | Experimental | e3lutA1 | TIM beta/alpha-barrel | LigPlot |