PDB ligand accession: FDA
DrugBank: n/a
PubChem: 446013;5288205;101960651;
ChEMBL: n/a
InChI Key: YPZRHBJKEMOYQH-UYBVJOGSSA-N
SMILES: Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: Flavin nucleotides
- Subclass: None
- Class: Flavin nucleotides
- Superclass: Nucleosides, nucleotides, and analogues
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 3UKK | Download | Experimental | e3ukkA2 e3ukkA1 e3ukkB1 e3ukkB2 e3ukkD1 e3ukkD2 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4U8K | Download | Experimental | e4u8kA1 e4u8kA2 e4u8kB1 e4u8kB2 e4u8kC1 e4u8kC2 e4u8kD1 e4u8kD2 | Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4WX1 | Download | Experimental | e4wx1A1 e4wx1A2 e4wx1B1 e4wx1B2 e4wx1C1 e4wx1C2 e4wx1D1 e4wx1D2 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
| 3UTG | Download | Experimental | e3utgA1 e3utgA2 e3utgB1 e3utgB2 e3utgC1 e3utgC2 e3utgD1 e3utgD2 | Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 3UKH | Download | Experimental | e3ukhC1 e3ukhC2 e3ukhH1 e3ukhH2 | Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4U8N | Download | Experimental | e4u8nA1 e4u8nA2 e4u8nB1 e4u8nB2 e4u8nC1 e4u8nC2 e4u8nD1 e4u8nD2 | Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 3UTF | Download | Experimental | e3utfA1 e3utfA2 e3utfB1 e3utfB2 e3utfC1 e3utfC2 e3utfD1 e3utfD2 | Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
| 3UKF | Download | Experimental | e3ukfA1 e3ukfA2 e3ukfB1 e3ukfB2 e3ukfC1 e3ukfC2 e3ukfD1 e3ukfD2 e3ukfE1 e3ukfE2 e3ukfF1 e3ukfF2 e3ukfG1 e3ukfG2 e3ukfH1 e3ukfH2 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4U8L | Download | Experimental | e4u8lA1 e4u8lA2 e4u8lB1 e4u8lB2 e4u8lC1 e4u8lC2 e4u8lD1 e4u8lD2 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
| 4U8O | Download | Experimental | e4u8oA1 e4u8oA2 e4u8oB1 e4u8oB2 e4u8oC1 e4u8oC2 e4u8oD1 e4u8oD2 | FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 3UTH | Download | Experimental | e3uthA1 e3uthA2 e3uthB1 e3uthB2 e3uthC1 e3uthC2 e3uthD1 e3uthD2 | Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 5HHF | Download | Experimental | e5hhfC1 e5hhfC2 e5hhfD1 e5hhfD2 | Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4U8I | Download | Experimental | e4u8iA1 e4u8iA2 e4u8iB1 e4u8iB2 e4u8iC1 e4u8iC2 e4u8iD1 e4u8iD2 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4U8M | Download | Experimental | e4u8mA1 e4u8mA2 e4u8mB1 e4u8mB2 e4u8mC1 e4u8mC2 e4u8mD1 e4u8mD2 | Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4U8J | Download | Experimental | e4u8jA1 e4u8jA2 e4u8jB1 e4u8jB2 e4u8jC1 e4u8jC2 e4u8jD1 e4u8jD2 | Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
| 4U8P | Download | Experimental | e4u8pA1 e4u8pA2 e4u8pB1 e4u8pB2 e4u8pC1 e4u8pC2 e4u8pD1 e4u8pD2 | Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
| 4GDE | Download | Experimental | e4gdeA1 e4gdeA2 e4gdeB1 e4gdeB2 e4gdeC1 e4gdeC2 e4gdeD1 e4gdeD2 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |