PDB ligand accession: IMP
DrugBank: DB04566
PubChem: 8582;5280323;135398640;
ChEMBL:
InChI Key: GRSZFWQUAKGDAV-KQYNXXCUSA-N
SMILES: c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: Purine nucleotides
- Subclass: Purine ribonucleotides
- Class: Purine nucleotides
- Superclass: Nucleosides, nucleotides, and analogues
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 8FOZ | Download | Experimental | e8fozA1 e8fozD1 e8fozA1 e8fozB1 e8fozB1 e8fozC1 e8fozC1 e8fozD1 e8fozE1 e8fozH1 e8fozE1 e8fozF1 e8fozF1 e8fozG1 e8fozG1 e8fozH1 | 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 |
| 6U8R | Download | Experimental | e6u8rA1 e6u8rB1 e6u8rB1 e6u8rC1 e6u8rC1 e6u8rD1 e6u8rE1 e6u8rF1 e6u8rF1 e6u8rG1 e6u8rG1 e6u8rE1 e6u8rH1 | 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 |
| 6UA4 | Download | Experimental | e6ua4A1 e6ua4D1 e6ua4A1 e6ua4B1 e6ua4C1 e6ua4C1 e6ua4D1 e6ua4E1 e6ua4H1 e6ua4E1 e6ua4F1 e6ua4G1 e6ua4G1 e6ua4H1 | 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 |
| 6U8E | Download | Experimental | e6u8eA1 e6u8eD1 e6u8eA1 e6u8eB1 e6u8eB1 e6u8eC1 e6u8eC1 e6u8eD1 e6u8eE1 e6u8eH1 e6u8eE1 e6u8eF1 e6u8eF1 e6u8eG1 e6u8eG1 e6u8eH1 | 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 |
| 6UA5 | Download | Experimental | e6ua5A1 e6ua5D1 e6ua5A1 e6ua5B1 e6ua5B1 e6ua5C1 e6ua5C1 e6ua5D1 e6ua5E1 e6ua5H1 e6ua5E1 e6ua5F1 e6ua5F1 e6ua5G1 e6ua5G1 e6ua5H1 | 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 |
| 6UAJ | Download | Experimental | e6uajA1 e6uajB1 e6uajC1 e6uajD1 e6uajE1 e6uajF1 e6uajG1 e6uajH1 | 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 |
| 6UDO | Download | Experimental | e6udoA2 e6udoB2 e6udoC2 e6udoD1 e6udoE2 e6udoF2 e6udoG1 e6udoH2 | 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 |
| 6U8S | Download | Experimental | e6u8sA1 e6u8sD1 e6u8sA1 e6u8sB1 e6u8sB1 e6u8sC1 e6u8sC1 e6u8sD1 e6u8sE1 e6u8sH1 e6u8sE1 e6u8sF1 e6u8sF1 e6u8sG1 e6u8sG1 e6u8sH1 | 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 |
| 6UA2 | Download | Experimental | e6ua2A1 e6ua2A1 e6ua2B1 e6ua2C1 e6ua2D1 e6ua2E1 e6ua2E1 e6ua2F1 e6ua2G1 e6ua2H1 | 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 |
| 6U8N | Download | Experimental | e6u8nA1 e6u8nB1 e6u8nB1 e6u8nC1 e6u8nC1 e6u8nD1 e6u8nA1 e6u8nD1 e6u8nE1 e6u8nF1 e6u8nF1 e6u8nG1 e6u8nG1 e6u8nH1 e6u8nE1 e6u8nH1 | 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 |
| 6U9O | Download | Experimental | e6u9oA1 e6u9oD1 e6u9oA1 e6u9oB1 e6u9oB1 e6u9oC1 e6u9oC1 e6u9oD1 e6u9oE1 e6u9oH1 e6u9oE1 e6u9oF1 e6u9oF1 e6u9oG1 e6u9oG1 e6u9oH1 | 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 |
| 8FUZ | Download | Experimental | e8fuzA1 e8fuzD1 e8fuzA1 e8fuzB1 e8fuzB1 e8fuzC1 e8fuzC1 e8fuzD1 e8fuzE1 e8fuzH1 e8fuzE1 e8fuzF1 e8fuzF1 e8fuzG1 e8fuzG1 e8fuzH1 | 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 |
| 6UDQ | Download | Experimental | e6udqA1 e6udqE1 e6udqH1 e6udqB2 e6udqF1 e6udqC2 e6udqG1 e6udqD1 e6udqG1 e6udqH1 | 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 |
| 6UDP | Download | Experimental | e6udpA1 e6udpB1 e6udpC1 e6udpD1 e6udpE1 e6udpF1 e6udpG1 e6udpH1 | 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 |