PDB ligand accession: NAJ
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)n4cnc5c4nc[nH+]c5N)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 |
|---|---|---|---|---|---|
| 5KJ6 | Download | Experimental | e5kj6A1 e5kj6A2 e5kj6B2 e5kj6A2 e5kj6B1 e5kj6B2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 4NFS | Download | Experimental | e4nfsA1 e4nfsA2 e4nfsB2 e4nfsA2 e4nfsB1 e4nfsB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 7UEJ | Download | Experimental | e7uejA1 e7uejA2 e7uejB1 e7uejA2 e7uejB1 e7uejB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like GroES-like | LigPlot |
| 1N92 | Download | Experimental | e1n92A1 e1n92B2 e1n92A2 e1n92B1 e1n92B2 e1n92A2 | GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like | LigPlot |
| 4DXH | Download | Experimental | e4dxhB2 e4dxhA1 e4dxhA2 e4dxhB1 e4dxhB2 e4dxhA2 | Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like Rossmann-like | LigPlot |
| 8G2L | Download | Experimental | e8g2lA1 e8g2lA2 e8g2lB2 e8g2lA1 e8g2lB1 e8g2lB2 | Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 5KJC | Download | Experimental | e5kjcA1 e5kjcA2 e5kjcB2 e5kjcA1 e5kjcB1 e5kjcB2 | Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 7UHX | Download | Experimental | e7uhxA1 e7uhxA2 e7uhxB1 e7uhxA2 e7uhxB1 e7uhxB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like GroES-like | LigPlot |
| 1N8K | Download | Experimental | e1n8kA1 e1n8kB2 e1n8kA2 e1n8kB1 e1n8kB2 e1n8kA2 | GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like | LigPlot |
| 7UA6 | Download | Experimental | e7ua6A1 e7ua6A2 e7ua6B2 e7ua6A2 e7ua6B1 e7ua6B2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 7UCA | Download | Experimental | e7ucaA1 e7ucaA2 e7ucaB2 e7ucaA2 e7ucaB1 e7ucaB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 7UHV | Download | Experimental | e7uhvA1 e7uhvA2 e7uhvB2 e7uhvA2 e7uhvB1 e7uhvB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 5KJF | Download | Experimental | e5kjfA1 e5kjfA2 e5kjfB1 e5kjfA2 e5kjfB1 e5kjfB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like GroES-like | LigPlot |
| 5CDS | Download | Experimental | e5cdsA1 e5cdsA2 e5cdsB1 e5cdsA2 e5cdsB1 e5cdsB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like GroES-like | LigPlot |
| 8G2X | Download | Experimental | e8g2xA1 e8g2xA2 e8g2xB2 e8g2xA1 e8g2xB1 e8g2xB2 | Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 4DWV | Download | Experimental | e4dwvA1 e4dwvA2 e4dwvB2 e4dwvA2 e4dwvB1 e4dwvB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 7UEC | Download | Experimental | e7uecA1 e7uecA2 e7uecB2 e7uecA2 e7uecB1 e7uecB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 7UEI | Download | Experimental | e7ueiA1 e7ueiA2 e7ueiB2 e7ueiA1 e7ueiB1 e7ueiB2 | Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 8G4V | Download | Experimental | e8g4vA1 e8g4vA2 e8g4vB2 e8g4vA2 e8g4vB1 e8g4vB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 5CDG | Download | Experimental | e5cdgA1 e5cdgA2 e5cdgB2 e5cdgA1 e5cdgB1 e5cdgB2 | Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 6OWP | Download | Experimental | e6owpA1 e6owpA2 e6owpB2 e6owpA1 e6owpB1 e6owpB2 | Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 4NG5 | Download | Experimental | e4ng5A1 e4ng5A2 e4ng5B2 e4ng5A2 e4ng5B1 e4ng5B2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 7UDD | Download | Experimental | e7uddA1 e7uddA2 e7uddB2 e7uddA1 e7uddB1 e7uddB2 | Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 8G2S | Download | Experimental | e8g2sA1 e8g2sA2 e8g2sB1 e8g2sA2 e8g2sB1 e8g2sB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like GroES-like | LigPlot |
| 5KCP | Download | Experimental | e5kcpA1 e5kcpA2 e5kcpB1 e5kcpA1 e5kcpB1 e5kcpB2 | Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like | LigPlot |
| 7UC9 | Download | Experimental | e7uc9A1 e7uc9A2 e7uc9B2 e7uc9A2 e7uc9B1 e7uc9B2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 6O91 | Download | Experimental | e6o91A1 e6o91A2 e6o91B2 e6o91A2 e6o91B1 e6o91B2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 4NFH | Download | Experimental | e4nfhA1 e4nfhA2 e4nfhB2 e4nfhA2 e4nfhB1 e4nfhB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 5KJE | Download | Experimental | e5kjeA1 e5kjeA2 e5kjeB1 e5kjeA2 e5kjeB1 e5kjeB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like GroES-like | LigPlot |
| 7UEF | Download | Experimental | e7uefA1 e7uefA2 e7uefB2 e7uefA1 e7uefB1 e7uefB2 | Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 5KJ1 | Download | Experimental | e5kj1A1 e5kj1A2 e5kj1B2 e5kj1A1 e5kj1B1 e5kj1B2 | Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 3OQ6 | Download | Experimental | e3oq6A1 e3oq6A2 e3oq6B2 e3oq6A2 e3oq6B1 e3oq6B2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 7UCU | Download | Experimental | e7ucuA1 e7ucuA2 e7ucuB2 e7ucuA1 e7ucuB1 e7ucuB2 | Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 7UHW | Download | Experimental | e7uhwA1 e7uhwA2 e7uhwB1 e7uhwA2 e7uhwB1 e7uhwB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like GroES-like | LigPlot |
| 5KCZ | Download | Experimental | e5kczA1 e5kczA2 e5kczB1 e5kczA2 e5kczB1 e5kczB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like GroES-like | LigPlot |
| 6OWM | Download | Experimental | e6owmA1 e6owmA2 e6owmB2 e6owmA2 e6owmB1 e6owmB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 7UDR | Download | Experimental | e7udrA1 e7udrA2 e7udrB1 e7udrA1 e7udrB1 e7udrB2 | Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like | LigPlot |
| 5CDU | Download | Experimental | e5cduA1 e5cduA2 e5cduB1 e5cduA1 e5cduB1 e5cduB2 | Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like | LigPlot |
| 6OA7 | Download | Experimental | e6oa7A1 e6oa7A2 e6oa7B2 e6oa7A2 e6oa7B1 e6oa7B2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 5CDT | Download | Experimental | e5cdtA1 e5cdtA2 e5cdtB2 e5cdtA2 e5cdtB1 e5cdtB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 7UDE | Download | Experimental | e7udeA1 e7udeA2 e7udeB2 e7udeA2 e7udeB1 e7udeB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like | LigPlot |
| 7UEE | Download | Experimental | e7ueeA1 e7ueeA2 e7ueeB1 e7ueeA2 e7ueeB1 e7ueeB2 | GroES-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like GroES-like | LigPlot |