PDB ligand accession: MCN
DrugBank: DB03300
PubChem: 5288785;135509118;
ChEMBL: n/a
InChI Key: RBWYFPNWTRZKKZ-LOIMWUFNSA-N
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: Pyrimidine nucleotides
- Subclass: Pyrimidine ribonucleotides
- Class: Pyrimidine nucleotides
- Superclass: Nucleosides, nucleotides, and analogues
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3HRD | Download | Experimental | e3hrdD4 e3hrdA2 e3hrdB1 e3hrdA1 e3hrdH4 e3hrdE2 e3hrdF1 e3hrdE1 | CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related alpha/beta-Hammerhead/Barrel-sandwich hybrid CO dehydrogenase ISP C-domain like MocoBD/DmpA-related MocoBD/DmpA-related alpha/beta-Hammerhead/Barrel-sandwich hybrid | LigPlot |