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 |
---|---|---|---|---|---|
4Q0D | Download | Experimental | e4q0dE1 e4q0dA1 e4q0dB1 e4q0dC1 e4q0dD1 | Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
3DL5 | Download | Experimental | e3dl5A2 e3dl5B2 e3dl5C2 e3dl5D2 e3dl5E2 | Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
3HJ3 | Download | Experimental | e3hj3A2 e3hj3B3 e3hj3C2 e3hj3C1 e3hj3D2 | Dihydrofolate reductases Dihydrofolate reductases Thymidylate synthase/dCMP hydroxymethylase Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
4Q0E | Download | Experimental | e4q0eA1 e4q0eB3 e4q0eC3 e4q0eD1 e4q0eE1 | Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
2OIP | Download | Experimental | e2oipA3 e2oipB3 e2oipC2 e2oipD3 e2oipE3 | Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
3DL6 | Download | Experimental | e3dl6A2 e3dl6B2 e3dl6C2 e3dl6D2 e3dl6E2 | Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases | LigPlot |
4KY8 | Download | Experimental | e4ky8A2 e4ky8B2 e4ky8C2 e4ky8D2 e4ky8E2 | Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases Dihydrofolate reductases | LigPlot |