PDB ligand accession: NDP
DrugBank: DB02338
PubChem: 5884;134821689;
ChEMBL:
InChI Key: ACFIXJIJDZMPPO-NNYOXOHSSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)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 |
---|---|---|---|---|---|
4H97 | Download | Experimental | e4h97A1 e4h97B1 | Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
3QLR | Download | Experimental | e3qlrA1 e3qlrB1 | Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
3QLW | Download | Experimental | e3qlwA1 e3qlwB1 | Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
3QLS | Download | Experimental | e3qlsA1 e3qlsB1 | Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
4H96 | Download | Experimental | e4h96A1 e4h96B1 | Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
4H95 | Download | Experimental | e4h95A1 e4h95B1 | Dihydrofolate reductases Dihydrofolate reductases | LigPlot |